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4-Trifluoromethyl-acetophenone

View entire compound with spectra: 10 NMR, 8 FTIR, 2 Raman, and 1 MS (GC)

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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Isrvuy1av8q
Name 4-(Trifluoromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 196894
CAS Registry Number 455-24-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-p-toluic acid 4-Carboxybenzotrifluoride
Wiley ID SIAL_13CNMR_002814