小分子和化合物库
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金合欢醇乙酸酯 (异构体混合物)CAS号: 29548-30-9分子式: C17H28O2 分子量: 264.41IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetateSMILES: CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)CInChIKey: ZGIGZINMAOQWLX-NCZFFCEISA-NInChI: 1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
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2'-羟基-4'-甲基苯乙酮CAS号: 6921-64-8分子式: C9H10O2 分子量: 150.18IUPAC Name: 1-(2-hydroxy-4-methylphenyl)ethanoneSMILES: CC1=CC(=C(C=C1)C(=O)C)OInChIKey: LYKDOWJROLHYOT-UHFFFAOYSA-NInChI: 1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
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异硫氰酸4-戊烯-1-基酯CAS号: 18060-79-2 Compound CID : 87436分子式: C6H9NS 分子量: 127.21IUPAC Name: 5-isothiocyanatopent-1-eneSMILES: C=CCCCN=C=SInChIKey: DBISBKDNOKIADM-UHFFFAOYSA-NInChI: 1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
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植烷三醇 (异构体混合物)CAS号: 74563-64-7 Compound CID : 3018525分子式: C20H42O3 分子量: 330.55IUPAC Name: 3,7,11,15-tetramethylhexadecane-1,2,3-triolSMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C(CO)O)OInChIKey: CGIHFIDULQUVJG-UHFFFAOYSA-NInChI: 1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3
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