小分子和化合物库
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锡酸钙CAS号: 12013-46-6分子式: CaO3Sn 分子量: 206.77IUPAC Name: calcium;dioxido(oxo)tinSMILES: [O-][Sn](=O)[O-].[Ca+2]InChIKey: HNQGTZYKXIXXST-UHFFFAOYSA-NInChI: 1S/Ca.3O.Sn/q+2;;2*-1;
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铝钴粉CAS号: 11114-55-9分子式: AlCo 分子量: 85.914IUPAC Name: aluminum;cobaltSMILES: [Al].[Co]InChIKey: MDKXFHZSHLHFLN-UHFFFAOYSA-NInChI: 1S/Al.Co
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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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