小分子和化合物库
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硼化铬(III)CAS号: 12006-79-0分子式: BCr 分子量: 62.81IUPAC Name: boranylidynechromiumSMILES: B#[Cr]InChIKey: NUEWEVRJMWXXFB-UHFFFAOYSA-NInChI: 1S/B.Cr
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乙酸异龙脑酯分子式: C12H20O2 分子量: 196.29IUPAC Name: [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetateSMILES: CC(=O)OC1CC2CCC1(C2(C)C)CInChIKey: KGEKLUUHTZCSIP-JBLDHEPKSA-NInChI: 1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
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胡椒酮(对映异构体的混合物, 以(R)-(-)-型为主)CAS号: 89-81-6分子式: C10H16O 分子量: 152.24IUPAC Name: 3-methyl-6-propan-2-ylcyclohex-2-en-1-oneSMILES: CC1=CC(=O)C(CC1)C(C)CInChIKey: YSTPAHQEHQSRJD-UHFFFAOYSA-NInChI: 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
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扁桃酸3,3,5-三甲基环己酯 (异构体混合物)分子式: C17H24O3 分子量: 276.38IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetateSMILES: CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)OInChIKey: WZHCOOQXZCIUNC-UHFFFAOYSA-NInChI: 1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
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肉豆蔻酸-1-(¹³C)CAS号: 57677-52-8 EC号: 208-875-2 (unlabeled)分子式: C13(13C)H28O2 分子量: 229.36IUPAC Name: (113C)tetradecanoic acidSMILES: CCCCCCCCCCCCCC(=O)OInChIKey: TUNFSRHWOTWDNC-UJKGMGNHSA-NInChI: 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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氯化锂 水合物CAS号: 85144-11-2分子式: LiCI·H2O 分子量: 60.41IUPAC Name: lithium;chloride;hydrateSMILES: [Li+].O.[Cl-]InChIKey: VXJIMUZIBHBWBV-UHFFFAOYSA-MInChI: 1S/ClH.Li.H2O/h1H;;1H2/q;+1;/p-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: 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
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