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2-(Trifluoromethyl)phenylacetic acid

View entire compound with spectra: 2 NMR, 4 FTIR, 2 Raman, and 1 MS (GC)

2-(Trifluoromethyl)phenylacetic acid
SpectraBase Compound ID EvYHXqUD1tY
InChI InChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey TYOCDHCKTWANIR-UHFFFAOYSA-N
Mol Weight 204.15 g/mol
Molecular Formula C9H7F3O2
Exact Mass 204.039814 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID n8Yxf28Zvn
Name 2-(Trifluoromethyl)phenylacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 235296
CAS Registry Number 3038-48-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7F3O2
InChI InChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey TYOCDHCKTWANIR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (alpha,alpha,alpha-Trifluoro-o-tolyl)acetic acid
Wiley ID SIAL_13CNMR_003716