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3-Trifluoromethylcinnamic acid, 2-methylphenyl ester

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

3-Trifluoromethylcinnamic acid, 2-methylphenyl ester
SpectraBase Compound ID 8K4H5EHVmLp
InChI InChI=1S/C17H13F3O2/c1-12-5-2-3-8-15(12)22-16(21)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3/b10-9+
InChIKey GXXNUUCTTIPXNI-MDZDMXLPSA-N
Mol Weight 306.28 g/mol
Molecular Formula C17H13F3O2
Exact Mass 306.086764 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9eUL2neeZHU
Name 3-Trifluoromethylcinnamic acid, 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.086764146 u
Formula C17H13F3O2
InChI InChI=1S/C17H13F3O2/c1-12-5-2-3-8-15(12)22-16(21)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3/b10-9+
InChIKey GXXNUUCTTIPXNI-MDZDMXLPSA-N
Molecular Weight 306.284 g/mol
SMILES C1(\C=C\C(OC2=CC=CC=C2C)=O)=CC=CC(=C1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869264