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m-(Trifluoromethyl)carbanilic acid, cyclohexyl ester

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

m-(Trifluoromethyl)carbanilic acid, cyclohexyl ester
SpectraBase Compound ID 4qXEXUZ1bWY
InChI InChI=1S/C14H16F3NO2/c15-14(16,17)10-5-4-6-11(9-10)18-13(19)20-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,18,19)
InChIKey CQDBVSMNEKBBIN-UHFFFAOYSA-N
Mol Weight 287.28 g/mol
Molecular Formula C14H16F3NO2
Exact Mass 287.113313 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IA9W7MHxQBS
Name m-(Trifluoromethyl)carbanilic acid, cyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.113313246 u
Formula C14H16F3NO2
InChI InChI=1S/C14H16F3NO2/c15-14(16,17)10-5-4-6-11(9-10)18-13(19)20-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,18,19)
InChIKey CQDBVSMNEKBBIN-UHFFFAOYSA-N
Molecular Weight 287.282 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C(OC1CCCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.776198