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(1S,2R,3R)-3-Trifluoromethylcyclohexane-1,2-diol
SpectraBase Compound ID 5ElrDIXHL4I
InChI InChI=1S/C7H11F3O2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h4-6,11-12H,1-3H2/t4-,5+,6-/m1/s1
InChIKey VWYRNXMMUGFAJT-NGJCXOISSA-N
Mol Weight 184.16 g/mol
Molecular Formula C7H11F3O2
Exact Mass 184.071114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMHr0UB1Dkh
Name (1S,2R,3R)-3-Trifluoromethylcyclohexane-1,2-diol
Alternate Name(s) (1S,2R,3R)-3-(trifluoromethyl)cyclohexane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11F3O2
InChI InChI=1S/C7H11F3O2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h4-6,11-12H,1-3H2/t4-,5+,6-/m1/s1
InChIKey VWYRNXMMUGFAJT-NGJCXOISSA-N
Literature Reference DOI 10.1002/adsc.200900818
Molecular Weight 184.158 g/mol
SMILES O[C@@]1([C@@](CCC[C@@]1(O)[H])(C(F)(F)F)[H])[H]
SPLASH splash10-00di-9600000000-c7972f0b1d76e9b1b9c2
Source of Spectrum ASC-352-865-6f
Wiley ID 1764303