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

*Links on SpectraBase are not permalinks.
(2R)-4-(4-bromophenyl)-1,1,1-trifluoro-2-methyl-but-3-en-2-ol
SpectraBase Compound ID nXAL1deitd
InChI InChI=1S/C11H10BrF3O/c1-10(16,11(13,14)15)7-6-8-2-4-9(12)5-3-8/h2-7,16H,1H3/t10-/m1/s1
InChIKey GGSBPASNBNKFOQ-SNVBAGLBSA-N
Mol Weight 295.1 g/mol
Molecular Formula C11H10BrF3O
Exact Mass 293.986712 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 40HGDGsaLUm
Name (2R)-4-(4-bromophenyl)-1,1,1-trifluoro-2-methyl-but-3-en-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.986712430 u
Formula C11H10BrF3O
InChI InChI=1S/C11H10BrF3O/c1-10(16,11(13,14)15)7-6-8-2-4-9(12)5-3-8/h2-7,16H,1H3/t10-/m1/s1
InChIKey GGSBPASNBNKFOQ-SNVBAGLBSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 295.099 g/mol
Quality 290
Reported Formula C11H10(79)BrOF3
SMILES O[C@](C=CC=1C=CC(=CC1)Br)(C(F)(F)F)C
SPLASH splash10-004i-1190000000-a6a9c33df4f70ed62663
Sample Comments 93% ee
Source of Spectrum ACI-61-SM26-3b' (DOI: 10.1002/anie.202208861)
Wiley ID 1899458