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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4ibjqDhM0kS
Name 4-(Trifluoromethyl)mandelic acid
Source of Sample Aldrich
Catalog Number 233072
CAS Registry Number 395-35-7
Classification Aromatic carboxylic acids
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_4003