小分子和化合物库
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(+)-脱氢松香胺 [光学拆分剂]CAS号: 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: 1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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香叶基-芳樟醇(异构体的混和物)CAS号: 68931-30-6分子式: C20H34O 分子量: 290.49IUPAC Name: 3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-olSMILES: CC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)CInChIKey: IQDXAJNQKSIPGB-UHFFFAOYSA-NInChI: 1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3
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N,N-二甲基正十八胺CAS号: 124-28-7分子式: C20H43N 分子量: 297.57IUPAC Name: N,N-dimethyloctadecan-1-amineSMILES: CCCCCCCCCCCCCCCCCCN(C)CInChIKey: NAPSCFZYZVSQHF-UHFFFAOYSA-NInChI: 1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3
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N-丁基-N-(4-羟丁基)亚硝胺CAS号: 3817-11-6分子式: C8H18N2O2 分子量: 174.24IUPAC Name: N-butyl-N-(4-hydroxybutyl)nitrous amideSMILES: CCCCN(CCCCO)N=OInChIKey: DIKPQFXYECAYPC-UHFFFAOYSA-NInChI: 1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
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(E)-2-乙基-4-(2,2,3-三甲基环戊-3-烯-1-基)丁-2-烯-1-醇CAS号: 106185-75-5分子式: C14H24O 分子量: 208.35IUPAC Name: (E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-olSMILES: CCC(=CCC1CC=C(C1(C)C)C)COInChIKey: KHQDWCKZXLWDNM-KPKJPENVSA-NInChI: 1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
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丙烯酸异冰片酯 (含稳定剂MEHQ)分子式: C13H20O2 分子量: 208.3IUPAC Name: [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoateSMILES: CC1(C2CCC1(C(C2)OC(=O)C=C)C)CInChIKey: PSGCQDPCAWOCSH-BREBYQMCSA-NInChI: 1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10-,13+/m1/s1
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乙二胺四乙酸 二钠盐 二水合物分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: 1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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