Chem
J-GLOBAL ID：200907040420313138   Nikkaji number：J757.669B

2β-Isopropyl-5α-methylcyclohexan-1α-ol 4-(trifluoromethyl)benzoate

2β-イソプロピル-5α-メチルシクロヘキサン-1α-オール4-(トリフルオロメチル)ベンゾアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H23F3O2
Molecular formula furigana： C18-H23-F3-O2
Molecular weight： 328.375
InChI： InChI=1S/C18H23F3O2/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16-/m0/s1
InChI key： JHTDCULGFQWJOG-MAZHCROVSA-N
SMILES： CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 2β-イソプロピル-5α-メチルシクロヘキサン-1α-オール4-(トリフルオロメチル)ベンゾアート
  • (1S,2R,5S)-5-メチル-2-(プロパン-2-イル)シクロヘキシル 4-(トリフルオロメチル)ベンゾアート
  • (1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 4-(trifluoromethyl)benzoate
Other name (1)：
  • 2β-Isopropyl-5α-methylcyclohexan-1α-ol 4-(trifluoromethyl)benzoate
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