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3'-(Trifluoromethyl)acetophenone

View entire compound with spectra: 11 NMR, 6 FTIR, 2 Raman, and 1 MS (GC)

3'-(Trifluoromethyl)acetophenone
SpectraBase Compound ID 1ctBbYAjhhc
InChI InChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
InChIKey ABXGMGUHGLQMAW-UHFFFAOYSA-N
Mol Weight 188.15 g/mol
Molecular Formula C9H7F3O
Exact Mass 188.044899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXVNcJJInFW
Name Ethanone, 1-[3-(trifluoromethyl)phenyl]-
CAS Registry Number 349-76-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7F3O
InChI InChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
InChIKey ABXGMGUHGLQMAW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.A. Newmark, J.R. Hill, Org. Magn. Resonance 9, 589 (1977).
NMR Standard Benzene-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid