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Methyl 3-(trifluoromethyl)benzoate

View entire compound with spectra: 6 NMR, 5 FTIR, and 1 Raman

Methyl 3-(trifluoromethyl)benzoate
SpectraBase Compound ID 1upjmD5VCDW
InChI InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
InChIKey QQHNNQCWKYFNAC-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 B2KFXErzTLi
Name Methyl 3-(trifluoromethyl)benzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 400432
CAS Registry Number 2557-13-3
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7F3O2
InChI 1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
InChIKey QQHNNQCWKYFNAC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008794