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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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2，5-DiacetylfuranCas Number: 38071-72-6Formula: C8H8O3 Molecular Weight: 152.1473SMILES: CC(=O)C1=CC=C(O1)C(=O)CInChIKey: HJULPPMMCXMWJA-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3/c1-5(9)7-3-4-8(11-7)6(2)10/h3-4H,1-2H3 -
1，3-Di(thiophen-2-yl)propane-1，3-dioneCas Number: 1138-14-3 Compound CID: 255158Formula: C11H8O2S2 Molecular Weight: 236.3IUPAC Name: 1,3-dithiophen-2-ylpropane-1,3-dioneSMILES: C1=CSC(=C1)C(=O)CC(=O)C2=CC=CS2InChIKey: RYEKDXOACFEXKG-UHFFFAOYSA-NInChI: InChI=1S/C11H8O2S2/c12-8(10-3-1-5-14-10)7-9(13)11-4-2-6-15-11/h1-6H,7H2
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1，3-Propanedione， 1，3-di-4-pyridinyl-Cas Number: 42899-59-2 Compound CID: 11322099Formula: C13H10N2O2 Molecular Weight: 226.23IUPAC Name: 1,3-dipyridin-4-ylpropane-1,3-dioneSMILES: C1=CN=CC=C1C(=O)CC(=O)C2=CC=NC=C2InChIKey: XMRYQPHPFFLECV-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2O2/c16-12(10-1-5-14-6-2-10)9-13(17)11-3-7-15-8-4-11/h1-8H,9H2
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(9R)-9-hydroxy-6，7，8，9-tetrahydrocyclohepta[blpyridin-5-oneCas Number: 1190363-44-0Formula: C10H11NO2 Molecular Weight: 177.2SMILES: C1CC(C2=C(C=CC=N2)C(=O)C1)OInChIKey: ZZNXHQSAOHUNDA-SECBINFHSA-NInChI: InChI=1S/C10H11NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6,9,13H,1,4-5H2/t9-/m1/s1
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Ethanone， 1-[5-(hydroxymethyl)-2-furanyl]-Cas Number: 55087-82-6Formula: C7H8O3 Molecular Weight: 140.1366SMILES: CC(=O)C1=CC=C(O1)COInChIKey: WPUGXTIOWBWKJY-UHFFFAOYSA-NInChI: InChI=1S/C7H8O3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,8H,4H2,1H3
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2-Pyrimidinepropanoic acid， β-oxo-， ethyl esterCas Number: 1093114-80-7Formula: C9H10N2O3 Molecular Weight: 194.1873SMILES: CCOC(=O)CC(=O)C1=NC=CC=N1InChIKey: YXQVCDKVZVKIHC-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O3/c1-2-14-8(13)6-7(12)9-10-4-3-5-11-9/h3-5H,2,6H2,1H3
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2-Acetyl-5-tetrahydroxybutyl ImidazoleCas Number: 94944-70-4 Compound CID: 108037Formula: C9H14N2O5 Molecular Weight: 230.218IUPAC Name: 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanoneSMILES: CC(=O)C1=NC=C(N1)C(C(C(CO)O)O)OInChIKey: CQSIXFHVGKMLGQ-BWZBUEFSSA-NInChI: InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
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5-Acetyl-6-Methylpyridin-2(1H)-OneCas Number: 5220-65-5 Compound CID: 4421736Formula: C8H9NO2 Molecular Weight: 151.16IUPAC Name: 5-acetyl-6-methyl-1H-pyridin-2-oneSMILES: CC1=C(C=CC(=O)N1)C(=O)CInChIKey: JTLWXFRVOPSNEH-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO2/c1-5-7(6(2)10)3-4-8(11)9-5/h3-4H,1-2H3,(H,9,11)
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2，2，2-Trifluoro-1-(pyrazin-2-yl)ethanoneCas Number: 1147103-48-7 Compound CID: 57930527Formula: C6H3F3N2O Molecular Weight: 176.1IUPAC Name: 2,2,2-trifluoro-1-pyrazin-2-ylethanoneSMILES: C1=CN=C(C=N1)C(=O)C(F)(F)FInChIKey: UYYMVPDMBZSBCQ-UHFFFAOYSA-NInChI: InChI=1S/C6H3F3N2O/c7-6(8,9)5(12)4-3-10-1-2-11-4/h1-3H
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2，2，2-Trifluoro-1-(1H-Pyrrol-3-Yl)EthanoneCas Number: 130408-89-8 Compound CID: 14890897Formula: C6H4F3NO Molecular Weight: 163.1IUPAC Name: 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanoneSMILES: C1=CNC=C1C(=O)C(F)(F)FInChIKey: RJDXBZJGMUWDDH-UHFFFAOYSA-NInChI: InChI=1S/C6H4F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h1-3,10H
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2，2，2-Trichloro-1-(4-chloro-1h-pyrrol-2-yl)ethan-1-oneCas Number: 72652-31-4 Compound CID: 7130688Formula: C6H3Cl4NO Molecular Weight: 246.9IUPAC Name: 2,2,2-trichloro-1-(4-chloro-1H-pyrrol-2-yl)ethanoneSMILES: C1=C(NC=C1Cl)C(=O)C(Cl)(Cl)ClInChIKey: UKLOTOWQAZVCIS-UHFFFAOYSA-NInChI: InChI=1S/C6H3Cl4NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H
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2，2-Difluoro-1-(pyridin-2-yl)ethanoneCas Number: 80459-00-3 Compound CID: 26985657Formula: C7H5F2NO Molecular Weight: 157.12IUPAC Name: 2,2-difluoro-1-pyridin-2-ylethanoneSMILES: C1=CC=NC(=C1)C(=O)C(F)FInChIKey: DUPAXXZTNNHMQL-UHFFFAOYSA-NInChI: InChI=1S/C7H5F2NO/c8-7(9)6(11)5-3-1-2-4-10-5/h1-4,7H
