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2-Fluorobenzoic acid, tridecyl ester

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

2-Fluorobenzoic acid, tridecyl ester
SpectraBase Compound ID EWftLEUGx86
InChI InChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16H,2-11,14,17H2,1H3
InChIKey RFOGIGPISNRLSL-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C20H31FO2
Exact Mass 322.230808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3rp74MwP3TB
Name 2-Fluorobenzoic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.230808399 u
Formula C20H31FO2
InChI InChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16H,2-11,14,17H2,1H3
InChIKey RFOGIGPISNRLSL-UHFFFAOYSA-N
Molecular Weight 322.464 g/mol
SMILES CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808859