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

*Links on SpectraBase are not permalinks.
(2R)-1,1,1-trifluoro-2-methyl-4-(p-tolyl)butan-2-ol
SpectraBase Compound ID E3j0K4TFneA
InChI InChI=1S/C12H15F3O/c1-9-3-5-10(6-4-9)7-8-11(2,16)12(13,14)15/h3-6,16H,7-8H2,1-2H3/t11-/m1/s1
InChIKey PSBIITUSXVHHBW-LLVKDONJSA-N
Mol Weight 232.25 g/mol
Molecular Formula C12H15F3O
Exact Mass 232.1075 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 Fy2CCaPIsAT
Name (2R)-1,1,1-trifluoro-2-methyl-4-(p-tolyl)butan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.107499591 u
Formula C12H15F3O
InChI InChI=1S/C12H15F3O/c1-9-3-5-10(6-4-9)7-8-11(2,16)12(13,14)15/h3-6,16H,7-8H2,1-2H3/t11-/m1/s1
InChIKey PSBIITUSXVHHBW-LLVKDONJSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 232.246 g/mol
Quality 248
Reported Formula C12H15OF3
SMILES O[C@](CCC1=CC=C(C=C1)C)(C(F)(F)F)C
SPLASH splash10-0a4j-1920000000-ad9a46388199592e41f0
Sample Comments 96% ee
Source of Spectrum ACI-61-SM32-14d' (DOI: 10.1002/anie.202208861)
Wiley ID 1899453