化学合成
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乙酰乙酸甲基丙烯酸乙二醇酯( AAEM)CAS号 : 21282-97-3 Compound CID : 88855分子式: C10H14O5 分子量: 214.22IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoateSMILES: CC(=C)C(=O)OCCOC(=O)CC(=O)CInChIKey: IBDVWXAVKPRHCU-UHFFFAOYSA-NInChI: InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3
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5-甲基-2,3-己二酮CAS号 : 13706-86-0 Compound CID : 26204分子式: C7H12O2 分子量: 128.17IUPAC Name: 5-methylhexane-2,3-dioneSMILES: CC(C)CC(=O)C(=O)CInChIKey: PQCLJXVUAWLNSV-UHFFFAOYSA-NInChI: InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
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九甘醇分子式: C18H38O10 分子量: 414.49IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolSMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCO)OInChIKey: YZUUTMGDONTGTN-UHFFFAOYSA-NInChI: InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
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邻苯二甲酸二(2-甲氧基)酯分子式: C14H18O6 分子量: 282.29IUPAC Name: bis(2-methoxyethyl) benzene-1,2-dicarboxylateSMILES: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOCInChIKey: HSUIVCLOAAJSRE-UHFFFAOYSA-NInChI: InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
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5''-溴-2,2':5',2''-三联噻吩-5-甲醛CAS号 : 161726-69-8 Compound CID : 14942412分子式: C13H7BrOS3 分子量: 355.28IUPAC Name: 5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehydeSMILES: C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)Br)C=OInChIKey: DSYKMLTVEGWLFR-UHFFFAOYSA-NInChI: InChI=1S/C13H7BrOS3/c14-13-6-5-12(18-13)11-4-3-10(17-11)9-2-1-8(7-15)16-9/h1-7H
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7-溴-3-羟基-2-萘甲酸分子式: C11H7BrO3 分子量: 267.08IUPAC Name: 7-bromo-3-hydroxynaphthalene-2-carboxylic acidSMILES: C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)BrInChIKey: XZWXQSGFZHRDNB-UHFFFAOYSA-NInChI: InChI=1S/C11H7BrO3/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,13H,(H,14,15)
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二异丁烯CAS号 : 25167-70-8分子式: C8H16 分子量: 112.21IUPAC Name: 2,4,4-trimethylpent-1-eneSMILES: CC(=C)CC(C)(C)CInChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-NInChI: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
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(1S,2S)-N,N'-二甲基-N,N'-双(3,3-二甲丁基)环己烷-1,2-二胺CAS号 : 767291-67-8分子式: C20H42N2 分子量: 310.57IUPAC Name: (1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamineSMILES: CC(C)(C)CCN(C)C1CCCCC1N(C)CCC(C)(C)CInChIKey: VGCWVKVNKNXOGZ-ROUUACIJSA-NInChI: InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m0/s1
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