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13,16-Octadecadienoic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

13,16-Octadecadienoic acid, methyl ester
SpectraBase Compound ID KCoi1XlGxgF
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-4,6-7H,5,8-18H2,1-2H3/b4-3+,7-6+
InChIKey LYRUHTQXEPJJBJ-FZWLCVONSA-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 44tHghEPJi4
Name 13,16-Octadecadienoic acid, methyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-4,6-7H,5,8-18H2,1-2H3/b4-3+,7-6+
InChIKey LYRUHTQXEPJJBJ-FZWLCVONSA-N
SMILES C(CCCCCC\C=C\C\C=C\C)CCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852367