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2-Trifluoromethyl-cyclohexanone

View entire compound with spectra: 11 NMR, and 3 MS (GC)

2-Trifluoromethyl-cyclohexanone
SpectraBase Compound ID 47TVykQ2a9O
InChI InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKey RZSQHJQIBOWYSQ-UHFFFAOYSA-N
Mol Weight 166.14 g/mol
Molecular Formula C7H9F3O
Exact Mass 166.060549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Hpa4RLitIB
Name 2-Trifluoromethyl-cyclohexanone
CAS Registry Number 56734-74-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H9F3O
InChI InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKey RZSQHJQIBOWYSQ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference M. Tordeux, J. Leroy, C. Wakselman, Org. Magn. Resonance 14, 407 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3