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4-Trifluoromethyl-acetophenone

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4-Trifluoromethyl-acetophenone
SpectraBase Compound ID 16JomnjKS3h
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey SWKPKONEIZGROQ-UHFFFAOYSA-N
Mol Weight 190.12 g/mol
Molecular Formula C8H5F3O2
Exact Mass 190.024164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJShNrAjYNe
Name 4-Trifluoromethyl-benzoic acid
CAS Registry Number 455-24-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5F3O2
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey SWKPKONEIZGROQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.A. Newmark, J.R. Hill, Org. Magn. Resonance 9, 589 (1977).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6