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oct-3-Enoic acid, undec-2-en-1-yl ester

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

oct-3-Enoic acid, undec-2-en-1-yl ester
SpectraBase Compound ID CgpLVTTtRkl
InChI InChI=1S/C19H34O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3/b15-13+,16-14+
InChIKey PBZKKWCQDPDQII-WXUKJITCSA-N
Mol Weight 294.5 g/mol
Molecular Formula C19H34O2
Exact Mass 294.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fld6FIr5bQW
Name oct-3-Enoic acid, undec-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.255880333 u
Formula C19H34O2
InChI InChI=1S/C19H34O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3/b15-13+,16-14+
InChIKey PBZKKWCQDPDQII-WXUKJITCSA-N
SMILES C(\C=C\CCCC)C(OC\C=C\CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98069