小分子和化合物库
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4-羟基环己甲酸CAS号: 17419-81-7分子式: C7H12O3 分子量: 144.17IUPAC Name: 4-hydroxycyclohexane-1-carboxylic acidSMILES: C1CC(CCC1C(=O)O)OInChIKey: HCFRWBBJISAZNK-UHFFFAOYSA-NInChI: 1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
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反式 4-甲基环己胺CAS号: 2523-55-9分子式: C7H15N 分子量: 113.2IUPAC Name: 4-methylcyclohexan-1-amineSMILES: CC1CCC(CC1)NInChIKey: KSMVBYPXNKCPAJ-UHFFFAOYSA-NInChI: 1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3
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2-戊基-5-甲基苯酚CAS号: 1300-94-3分子式: C12H18O 分子量: 178.28IUPAC Name: 5-methyl-2-pentylphenolSMILES: CCCCCC1=C(C=C(C=C1)C)OInChIKey: CKGWFZQGEQJZIL-UHFFFAOYSA-NInChI: 1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
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(+)-3-溴樟脑CAS号: 10293-06-8分子式: C10H15BrO 分子量: 231.13IUPAC Name: (1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-oneSMILES: CC1(C2CCC1(C(=O)C2Br)C)CInChIKey: NJQADTYRAYFBJN-FWWHASMVSA-NInChI: 1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1
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6-溴-2-羟基-3-甲氧基苯甲醛CAS号: 20035-41-0分子式: C8H7BrO3 分子量: 231.05IUPAC Name: 6-bromo-2-hydroxy-3-methoxybenzaldehydeSMILES: COC1=C(C(=C(C=C1)Br)C=O)OInChIKey: JUPJZUTYDWXZAQ-UHFFFAOYSA-NInChI: 1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
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2,2-双(4-羟基-3-甲苯基)丙烷CAS号: 79-97-0分子式: C17H20O2 分子量: 256.35IUPAC Name: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenolSMILES: CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)OInChIKey: YMTYZTXUZLQUSF-UHFFFAOYSA-NInChI: 1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
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1-氯-2,2,2-三氟乙基二氟甲基醚CAS号: 26675-46-7分子式: C3H2ClF5O 分子量: 184.49IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethaneSMILES: C(C(F)(F)F)(OC(F)F)ClInChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-NInChI: 1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
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