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Benzenepropanoic acid, 10-undecenyl ester

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

Benzenepropanoic acid, 10-undecenyl ester
SpectraBase Compound ID EWB58xhqJgV
InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h2,10-12,14-15H,1,3-9,13,16-18H2
InChIKey VIODNIRBEUNBCD-UHFFFAOYSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G1CwcayF32y
Name Benzenepropanoic acid, 10-undecenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h2,10-12,14-15H,1,3-9,13,16-18H2
InChIKey VIODNIRBEUNBCD-UHFFFAOYSA-N
SMILES C1=CC(CCC(=O)OCCCCCCCCCC=C)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95512