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5-氯-1-(4-哌啶基)-2-苯并咪唑酮CAS号 : 53786-28-0 Compound CID : 104607分子式: C12H14ClN3O 分子量: 251.71IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-oneSMILES: C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=OInChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-NInChI: InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
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7-(二乙氨基)香豆素-3-甲酸乙酯CAS号 : 28705-46-6 Compound CID : 120014分子式: C16H19NO4 分子量: 289.33IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylateSMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCCInChIKey: MSOLGAJLRIINNF-UHFFFAOYSA-NInChI: InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
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肉豆蔻酸-1-(¹³C)CAS号 : 57677-52-8 Compound CID : 16213484分子式: C13(13C)H28O2 分子量: 229.36IUPAC Name: (113C)tetradecanoic acidSMILES: CCCCCCCCCCCCCC(=O)OInChIKey: TUNFSRHWOTWDNC-UJKGMGNHSA-NInChI: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i14+1
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25-羟基维生素D₃-23,24,25,26,27-¹³C₅溶液CAS号 : 19356-17-3 Compound CID : 5283731分子式: C27H44O2 分子量: 400.64IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: JWUBBDSIWDLEOM-DTOXIADCSA-NInChI: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1