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4-(Trifluoromethyl)mandelic acid

View entire compound with spectra: 2 NMR, 4 FTIR, and 2 Raman

4-(Trifluoromethyl)mandelic acid
SpectraBase Compound ID 3Vog9cDQQ7P
InChI InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
InChIKey SDGXYUQKJPFLDG-UHFFFAOYSA-N
Mol Weight 220.15 g/mol
Molecular Formula C9H7F3O3
Exact Mass 220.034729 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID zfG9jPYAt
Name 4-(Trifluoromethyl)mandelic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 233072
CAS Registry Number 395-35-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7F3O3
InChI InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
InChIKey SDGXYUQKJPFLDG-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_003583