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3,5-Bis(trifluoromethyl)phenylacetic acid

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

3,5-Bis(trifluoromethyl)phenylacetic acid
SpectraBase Compound ID CUIJo7XwZty
InChI InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChIKey PAWSKKHEEYTXSA-UHFFFAOYSA-N
Mol Weight 272.15 g/mol
Molecular Formula C10H6F6O2
Exact Mass 272.027198 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J4FPyGjrIg2
Name 3,5-Bis(trifluoromethyl)phenylacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 263419
CAS Registry Number 85068-33-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F6O2
InChI InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChIKey PAWSKKHEEYTXSA-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004726