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小分子和化合物库
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3-溴-2-甲基丙酸CAS号: 56970-78-6分子式: C4H7BrO2 分子量: 167IUPAC Name: 3-bromo-2-methylpropanoic acidSMILES: CC(CBr)C(=O)OInChIKey: BUPXDXGYFXDDAA-UHFFFAOYSA-NInChI: 1S/C4H7BrO2/c1-3(2-5)4(6)7/h3H,2H2,1H3,(H,6,7)
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2,6-二叔丁基对甲酚(BHT)CAS号: 128-37-0分子式: C15H24O 分子量: 220.35IUPAC Name: 2,6-ditert-butyl-4-methylphenolSMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)CInChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-NInChI: 1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
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2-仲丁基-3-甲氧基吡嗪CAS号: 24168-70-5分子式: C9H14N2O 分子量: 166.22IUPAC Name: 2-butan-2-yl-3-methoxypyrazineSMILES: CCC(C)C1=NC=CN=C1OCInChIKey: QMQDJVIJVPEQHE-UHFFFAOYSA-NInChI: 1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
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亚油酸分子式: C18H32O2 分子量: 280.45IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acidSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OInChIKey: OYHQOLUKZRVURQ-HZJYTTRNSA-NInChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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2-氨基-1-苯基乙醇CAS号: 7568-93-6分子式: C8H11NO 分子量: 137.18IUPAC Name: 2-amino-1-phenylethanolSMILES: C1=CC=C(C=C1)C(CN)OInChIKey: ULSIYEODSMZIPX-UHFFFAOYSA-NInChI: 1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
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3,4'-二羟基黄酮CAS号: 14919-49-4分子式: C15H10O4 分子量: 254.24IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OInChIKey: GPGOCTLAUAHUQO-UHFFFAOYSA-NInChI: 1S/C15H10O4/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,16,18H
