For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R)-1,1,1-trifluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]butan-2-ol
SpectraBase Compound ID 5ZShiypTwdg
InChI InChI=1S/C12H12F6O/c1-10(19,12(16,17)18)7-6-8-2-4-9(5-3-8)11(13,14)15/h2-5,19H,6-7H2,1H3/t10-/m1/s1
InChIKey QCKQECHHPDBOOL-SNVBAGLBSA-N
Mol Weight 286.22 g/mol
Molecular Formula C12H12F6O
Exact Mass 286.079234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B0VUGj4YzZ2
Name (2R)-1,1,1-trifluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]butan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.079233983 u
Formula C12H12F6O
InChI InChI=1S/C12H12F6O/c1-10(19,12(16,17)18)7-6-8-2-4-9(5-3-8)11(13,14)15/h2-5,19H,6-7H2,1H3/t10-/m1/s1
InChIKey QCKQECHHPDBOOL-SNVBAGLBSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 286.217 g/mol
Quality 296
Reported Formula C12H12OF6
SMILES O[C@](CCC1=CC=C(C=C1)C(F)(F)F)(C(F)(F)F)C
SPLASH splash10-052b-0920000000-63f7e5fcb82b7f4020dc
Sample Comments 95% ee
Source of Spectrum ACI-61-SM32-14c' (DOI: 10.1002/anie.202208861)
Wiley ID 1899452