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: 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: 1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
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九甘醇CAS号: 3386-18-3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: 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: 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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3-氨基-3-(3,4-二甲氧基苯基)丙酸CAS号: 34841-09-3分子式: (H3CO)2C6H3CH(NH2)CH2CO2H 分子量: 225.24IUPAC Name: 3-amino-3-(3,4-dimethoxyphenyl)propanoic acidSMILES: COC1=C(C=C(C=C1)C(CC(=O)O)N)OCInChIKey: FGCXSFRGPCUBPW-UHFFFAOYSA-NInChI: 1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
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5''-溴-2,2':5',2''-三联噻吩-5-甲醛CAS号: 161726-69-8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: 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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2,4-二氯-5-磺酰胺基苯甲酸CAS号: 2736-23-4分子式: C7H5Cl2NO4S 分子量: 270.09IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acidSMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)OInChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-NInChI: 1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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