小分子和化合物库
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N-(乙氧羰基)托品酮CAS号: 32499-64-2分子式: C10H15NO3 分子量: 197.23IUPAC Name: ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylateSMILES: CCOC(=O)N1C2CCC1CC(=O)C2InChIKey: ANEJUHJDPGTVIO-UHFFFAOYSA-NInChI: 1S/C10H15NO3/c1-2-14-10(13)11-7-3-4-8(11)6-9(12)5-7/h7-8H,2-6H2,1H3
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N-(1,3-二甲基丁基)-N'-苯基-1,4-苯二胺CAS号: 793-24-8分子式: C18H24N2 分子量: 268.4IUPAC Name: 4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamineSMILES: CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2InChIKey: ZZMVLMVFYMGSMY-UHFFFAOYSA-NInChI: 1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
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吡非尼酮CAS号: 53179-13-8分子式: C12H11NO 分子量: 185.22IUPAC Name: 5-methyl-1-phenylpyridin-2-oneSMILES: CC1=CN(C(=O)C=C1)C2=CC=CC=C2InChIKey: ISWRGOKTTBVCFA-UHFFFAOYSA-NInChI: 1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
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(S)-(+)-布洛芬CAS号: 51146-56-6分子式: (CH3)2CHCH2C6H4CH(CH3)CO2H 分子量: 206.28IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acidSMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)OInChIKey: HEFNNWSXXWATRW-JTQLQIEISA-NInChI: 1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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