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Aryl alkyl ketones
Description:
Ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
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1-(1，5-Dimethyl-1H-pyrazol-4-yl)ethanoneCas Number: 21686-05-5 Compound CID: 7019427Formula: C7H10N2O Molecular Weight: 138.17IUPAC Name: 1-(1,5-dimethylpyrazol-4-yl)ethanoneSMILES: CC1=C(C=NN1C)C(=O)CInChIKey: TXXZNYALZCZZSY-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O/c1-5-7(6(2)10)4-8-9(5)3/h4H,1-3H3 -
1-(1，3-Dimethyl-1H-pyrazol-5-yl)ethanoneCas Number: 87375-38-0 Compound CID: 7017503Formula: C7H10N2O Molecular Weight: 138.17IUPAC Name: 1-(2,5-dimethylpyrazol-3-yl)ethanoneSMILES: CC1=NN(C(=C1)C(=O)C)CInChIKey: GQDPHXPGTIMNQR-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O/c1-5-4-7(6(2)10)9(3)8-5/h4H,1-3H3
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1-(2-Aminopyrimidin-5-yl)ethanoneCas Number: 124491-42-5 Compound CID: 14442199Formula: C6H7N3O Molecular Weight: 137.14IUPAC Name: 1-(2-aminopyrimidin-5-yl)ethanoneSMILES: CC(=O)C1=CN=C(N=C1)NInChIKey: UYVRMDUESKFUJX-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
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1-(2-Aminothiophen-3-yl)ethanoneCas Number: 892127-08-1 Compound CID: 19908024Formula: C6H7NOS Molecular Weight: 141.19IUPAC Name: 1-(2-aminothiophen-3-yl)ethanoneSMILES: CC(=O)C1=C(SC=C1)NInChIKey: MCARDMQPIMTVKC-UHFFFAOYSA-NInChI: InChI=1S/C6H7NOS/c1-4(8)5-2-3-9-6(5)7/h2-3H,7H2,1H3
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(6-Chloropyridin-3-yl)(cyclopropyl)methanoneCas Number: 872088-06-7 Compound CID: 11550101Formula: C9H8ClNO Molecular Weight: 181.62IUPAC Name: (6-chloropyridin-3-yl)-cyclopropylmethanoneSMILES: C1CC1C(=O)C2=CN=C(C=C2)ClInChIKey: HMTIMNJNXGOOTH-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClNO/c10-8-4-3-7(5-11-8)9(12)6-1-2-6/h3-6H,1-2H2
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Ethyl 3-oxo-3-(thiazol-2-yl)propanoateCas Number: 212621-63-1 Compound CID: 22831883Formula: C8H9NO3S Molecular Weight: 199.23IUPAC Name: ethyl 3-oxo-3-(1,3-thiazol-2-yl)propanoateSMILES: CCOC(=O)CC(=O)C1=NC=CS1InChIKey: IYGKPDXKHOZVBQ-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3S/c1-2-12-7(11)5-6(10)8-9-3-4-13-8/h3-4H,2,5H2,1H3
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Ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoateCas Number: 216317-64-5 Compound CID: 10421283Formula: C10H10ClNO3 Molecular Weight: 227.64IUPAC Name: ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoateSMILES: CCOC(=O)CC(=O)C1=CN=C(C=C1)ClInChIKey: GDJNNARPYCGJSG-UHFFFAOYSA-NInChI: InChI=1S/C10H10ClNO3/c1-2-15-10(14)5-8(13)7-3-4-9(11)12-6-7/h3-4,6H,2,5H2,1H3
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7， 8-DIHYDROISOQUINOLIN-5(6H)-ONE HCLCas Number: 103441-65-2 Compound CID: 23157166Formula: C9H10ClNO Molecular Weight: 183.63IUPAC Name: 7,8-dihydro-6H-isoquinolin-5-one;hydrochlorideSMILES: C1CC2=C(C=CN=C2)C(=O)C1.ClInChIKey: XIFLOZYAKQKYHN-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H
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7-Methyl-1，5-dioxo-1，2，3，5-tetrahydroindolizine-6-carbonitrileCas Number: 58610-63-2 Compound CID: 10921274IUPAC Name: 7-methyl-1,5-dioxo-2,3-dihydroindolizine-6-carbonitrileSMILES: CC1=C(C(=O)N2CCC(=O)C2=C1)C#NInChIKey: WAVYZKPFLMIKCX-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O2/c1-6-4-8-9(13)2-3-12(8)10(14)7(6)5-11/h4H,2-3H2,1H3
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7(4H)-Benzothiazolone， 2-bromo-5，6-dihydro-5，5-dimethyl-Cas Number: 10513-26-5 Compound CID: 66648672Formula: C9H10NOSBr Molecular Weight: 260.15IUPAC Name: 2-bromo-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-oneSMILES: CC1(CC2=C(C(=O)C1)SC(=N2)Br)CInChIKey: YWEYODFGGPSBMP-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrNOS/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3
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7(4H)-Benzothiazolone， 2-bromo-5，6-dihydro-5，5-dimethyl-Cas Number: 10513-26-5 Compound CID: 66648672Formula: C9H10NOSBr Molecular Weight: 260.15IUPAC Name: 2-bromo-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-oneSMILES: CC1(CC2=C(C(=O)C1)SC(=N2)Br)CInChIKey: YWEYODFGGPSBMP-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrNOS/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3
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6-AcetylpicolinonitrileCas Number: 159307-02-5 Compound CID: 15218805Formula: C8H6N2O Molecular Weight: 146.15IUPAC Name: 6-acetylpyridine-2-carbonitrileSMILES: CC(=O)C1=CC=CC(=N1)C#NInChIKey: LECIQDJPKUDAHR-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O/c1-6(11)8-4-2-3-7(5-9)10-8/h2-4H,1H3
