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Search results for: '887584-91-0'
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Tetraethylammonium bromide
Formula: C8H20NBrMolecular weight: 210.16Synonyms: Etambro | Ethanaminium, N,N,N-triethyl-, bromide | Ethanaminium,N,N-triethyl-, bromide | JC10004 | N...SMILES: CC[N+](CC)(CC)CC.[Br-]InChIKey: HWCKGOZZJDHMNC-UHFFFAOYSA-MInChI: InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
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dimethyl trans-1-benzylazetidine-2,4-dicarboxylate
Cas Number: 121049-91-0Formula: C14H17NO4Molecular weight: 263.29Synonyms: 121049-91-0 | trans-Dimethyl 1-benzylazetidine-2,4-dicarboxylate | Dimethyl (2S,4S)-1-benzylazetidin...SMILES: COC(=O)C1CC(N1CC2=CC=CC=C2)C(=O)OCInChIKey: COJVYCMOVXNWAM-RYUDHWBXSA-NInChI: InChI=1S/C14H17NO4/c1-18-13(16)11-8-12(14(17)19-2)15(11)9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m0/s1
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5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Cas Number: 1315364-91-0Formula: C7H4ClN3O2Molecular weight: 197.58Synonyms: 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid|1315364-91-0|MFCD20482240|Pyrazolo[1,5-a]pyrimid...SMILES: C1=CN2C(=C(C=N2)C(=O)O)N=C1ClInChIKey: SAMKKKTWKGAXIC-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13)
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5-Bromo-2,4-difluorobenzaldehyde
Cas Number: 473416-91-0Formula: C7H3BrF2OMolecular weight: 221Synonyms: 5-Bromo-2,4-difluorobenzaldehyde|473416-91-0|MFCD09842439|5-bromo-2,4-difluoro-benzaldehyde|SCHEMBL9...SMILES: C1=C(C(=CC(=C1Br)F)F)C=OInChIKey: UFNBTKFAPDUBCY-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrF2O/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H
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cis-1,3-dihydroxycyclobutane-1-carboxylic acid
Cas Number: 2227198-91-4Formula: C5H8O4Molecular weight: 132.11Synonyms: cis-1,3-dihydroxycyclobutane-1-carboxylic acid | 2227198-91-4 | trans-1,3-dihydroxycyclobutane-1-car...SMILES: C1C(CC1(C(=O)O)O)OInChIKey: DRHHIKAKVKYIQN-UHFFFAOYSA-NInChI: InChI=1S/C5H8O4/c6-3-1-5(9,2-3)4(7)8/h3,6,9H,1-2H2,(H,7,8)
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1-[(tert-butoxy)carbonyl]-2,2-dimethylazetidine-3-carboxylic acid
Cas Number: 2091327-91-0Formula: C11H19NO4Molecular weight: 229.27Synonyms: 2091327-91-0 | 1-[(tert-butoxy)carbonyl]-2,2-dimethylazetidine-3-carboxylic acid | SCHEMBL22118559 |...SMILES: CC1(C(CN1C(=O)OC(C)(C)C)C(=O)O)CInChIKey: CWNKDWYRPAZROQ-UHFFFAOYSA-NInChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-7(8(13)14)11(12,4)5/h7H,6H2,1-5H3,(H,13,14)
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Myristicin
Formula: C11H12O3Molecular weight: 192.21Synonyms: Myristicin|607-91-0|Myristicine|6-Allyl-4-methoxy-1,3-benzodioxole|4-Methoxy-6-(2-propenyl)-1,3-benz...SMILES: COC1=CC(=CC2=C1OCO2)CC=CInChIKey: BNWJOHGLIBDBOB-UHFFFAOYSA-NInChI: InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
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α-Estradiol
Formula: C18H24O2Molecular weight: 272.39Synonyms: 17alpha-Estradiol|57-91-0|Alfatradiol|alpha-Estradiol|Epiestradiol|17a-estradiol|17-alpha-Estradiol|...SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OInChIKey: VOXZDWNPVJITMN-SFFUCWETSA-NInChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
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1,1-difluoro-5-azaspiro[2.3]hexane hydrochloride
Cas Number: 1630906-91-0Formula: C5H8ClF2NMolecular weight: 155.57Synonyms: 1,1-difluoro-5-azaspiro[2.3]hexane hydrochloride|1630906-91-0|1,1-Difluoro-5-azaspiro[2.3]hexane HCl...SMILES: C1C2(C1(F)F)CNC2.ClInChIKey: LMRKLQUKVUWQLV-UHFFFAOYSA-NInChI: InChI=1S/C5H7F2N.ClH/c6-5(7)1-4(5)2-8-3-4;/h8H,1-3H2;1H
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Thonzylamine
Cas Number: 91-85-0Formula: C16H22N4OMolecular weight: 286.38Synonyms: thonzylamine|91-85-0|Neohetramine|N1-(4-Methoxybenzyl)-N2,N2-dimethyl-N1-(pyrimidin-2-yl)ethane-1,2-...SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2InChIKey: GULNIHOSWFYMRN-UHFFFAOYSA-NInChI: InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3
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4-Bromo-4'-isopropoxybiphenyl
Cas Number: 153486-91-0Formula: C15H15BrOMolecular weight: 291.2Synonyms: 153486-91-0|4-Bromo-4'-isopropyloxybiphenyl|4-Bromo-4'-isopropoxybiphenyl|4-Bromo-4'-isopropoxy-1,1'...SMILES: CC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)BrInChIKey: JXISYYIKGVKADW-UHFFFAOYSA-NInChI: InChI=1S/C15H15BrO/c1-11(2)17-15-9-5-13(6-10-15)12-3-7-14(16)8-4-12/h3-11H,1-2H3
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trans-1,3-dihydroxycyclobutane-1-carboxylic acid
Cas Number: 2227198-71-0Formula: C5H8O4Molecular weight: 132.11Synonyms: cis-1,3-dihydroxycyclobutane-1-carboxylic acid | 2227198-91-4 | trans-1,3-dihydroxycyclobutane-1-car...SMILES: C1C(CC1(C(=O)O)O)OInChIKey: DRHHIKAKVKYIQN-UHFFFAOYSA-NInChI: InChI=1S/C5H8O4/c6-3-1-5(9,2-3)4(7)8/h3,6,9H,1-2H2,(H,7,8)
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1-Methyl-1H-1,2,3-triazole-5-carboxylic acid
Cas Number: 716361-91-0Formula: C4H5N3O2Molecular weight: 127.1Synonyms: 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid|716361-91-0|3-methyltriazole-4-carboxylic acid|MFCD1069...SMILES: CN1C(=CN=N1)C(=O)OInChIKey: LQNKEDJEXCZEBP-UHFFFAOYSA-NInChI: InChI=1S/C4H5N3O2/c1-7-3(4(8)9)2-5-6-7/h2H,1H3,(H,8,9)
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tert-butyl (3R,4R)-3-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
Cas Number: 1428775-91-0Formula: C11H21NO4Molecular weight: 231.29Synonyms: 1428775-91-0 | tert-butyl (3R,4R)-3-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate | REL-TERT-BU...SMILES: CC(C)(C)OC(=O)N1CC(C(C1)OC)COInChIKey: UQACEQMXLUFODR-BDAKNGLRSA-NInChI: InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-8(7-13)9(6-12)15-4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
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5-Bromo-1-fluoro-3-methoxy-2-nitrobenzene
Cas Number: 1137869-91-0Formula: C7H5BrFNO3Molecular weight: 250.03Synonyms: 5-Bromo-1-fluoro-3-methoxy-2-nitrobenzene|1137869-91-0|5-Bromo-3-fluoro-2-nitroanisole|Benzene, 5-br...SMILES: COC1=C(C(=CC(=C1)Br)F)[N+](=O)[O-]InChIKey: BLGZBPZOEMCFOM-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrFNO3/c1-13-6-3-4(8)2-5(9)7(6)10(11)12/h2-3H,1H3
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ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[4.5]decane-3-carboxylate
Cas Number: 1272655-91-0Formula: C18H35NO3SiMolecular weight: 341.56Synonyms: 1272655-91-0 | ethyl 8-[(tert-butyldimethylsilyl)oxy]-2-azaspiro[4.5]decane-3-carboxylate | ethyl 8-...SMILES: CCOC(=O)C1CC2(CCC(CC2)O[Si](C)(C)C(C)(C)C)CN1InChIKey: XAYBFASIKQZINL-UHFFFAOYSA-NInChI: InChI=1S/C18H35NO3Si/c1-7-21-16(20)15-12-18(13-19-15)10-8-14(9-11-18)22-23(5,6)17(2,3)4/h14-15,19H,7-13H2,1-6H3
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(-)-Linalool
Cas Number: 126-91-0Formula: C10H18OMolecular weight: 154.25Synonyms: (-)-Linalool|126-91-0|L-Linalool|(R)-(-)-Linalool|(R)-3,7-dimethylocta-1,6-dien-3-ol|(3R)-Linalool|1...SMILES: CC(=CCCC(C)(C=C)O)CInChIKey: CDOSHBSSFJOMGT-JTQLQIEISA-NInChI: InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
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Ethyl 3-bromo-1H-pyrazole-4-carboxylate
Cas Number: 1353100-91-0Formula: C6H7BrN2O2Molecular weight: 219.04Synonyms: Ethyl 3-bromo-1H-pyrazole-4-carboxylate|1353100-91-0|ethyl 5-bromo-1H-pyrazole-4-carboxylate|1-H-pyr...SMILES: CCOC(=O)C1=C(NN=C1)BrInChIKey: HMONTLMXUZERMC-UHFFFAOYSA-NInChI: InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
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4-(Pyrimidin-5-yl)benzoic acid
Cas Number: 216959-91-0Formula: C11H8N2O2Molecular weight: 200.19Synonyms: 4-(pyrimidin-5-yl)benzoic acid|216959-91-0|4-Pyrimidin-5-yl-benzoic acid|4-pyrimidin-5-ylbenzoic Aci...SMILES: C1=CC(=CC=C1C2=CN=CN=C2)C(=O)OInChIKey: CCBKADQVSXLSDN-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
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(E)-4-(Prop-1-en-2-yl)cyclohex-1-enecarbaldehyde oxime
Cas Number: 30950-27-7Formula: C10H15NOMolecular weight: 165.23Synonyms: Perillartine|30950-27-7|Peryllartine|Perilla sugar|(E)-4-(Prop-1-en-2-yl)cyclohex-1-enecarbaldehyde ...SMILES: CC(=C)C1CCC(=CC1)C=NOInChIKey: XCOJIVIDDFTHGB-YRNVUSSQSA-NInChI: InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
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2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid
Cas Number: 91-35-0Formula: C13H12N2O5SMolecular weight: 308.3Synonyms: 91-35-0|2-(3-Amino-4-hydroxyphenylsulfonamido)benzoic acid|2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]am...SMILES: C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)NInChIKey: ISDVREGLMJJFJG-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)
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tert-Butyl 4-bromo-5,6-dihydropyridine-1(2H)-carboxylate
Cas Number: 159503-91-0Formula: C10H16BrNO2Molecular weight: 262.14Synonyms: 159503-91-0|tert-butyl 4-bromo-5,6-dihydropyridine-1(2H)-carboxylate|tert-butyl 4-bromo-1,2,3,6-tetr...SMILES: CC(C)(C)OC(=O)N1CCC(=CC1)BrInChIKey: PQILACDFDBWRNK-UHFFFAOYSA-NInChI: InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h4H,5-7H2,1-3H3
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