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

*Links on SpectraBase are not permalinks.
1-(3-(tert-butyl)phenyl)-2,2,2-trifluoroethan-1-one
SpectraBase Compound ID 6xdtFTErGCT
InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3
InChIKey XAZQUPBUJONHAF-UHFFFAOYSA-N
Mol Weight 230.23 g/mol
Molecular Formula C12H13F3O
Exact Mass 230.09185 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 ZWCdFXZWYJ
Name 1-(3-(tert-butyl)phenyl)-2,2,2-trifluoroethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O
InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3
InChIKey XAZQUPBUJONHAF-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2016.08.048
Molecular Weight 230.230 g/mol
SMILES C(C(F)(F)F)(c1cc(ccc1)C(C)(C)C)=O
SPLASH splash10-014i-1790000000-9436bc4fd595b2d711ad
Source of Spectrum Courtney T. Jollymore-Hughes, et al. Bioorganic & Medicinal Chemistry, 10.1016/j.bmc.2016.08.048
Wiley ID 1815259