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Hexadeca-2,4,15-trienoic acid, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Hexadeca-2,4,15-trienoic acid, ethyl ester
SpectraBase Compound ID HxUT70j0wIO
InChI InChI=1S/C18H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3,14-17H,1,4-13H2,2H3/b15-14+,17-16+
InChIKey PZADSPCUOQPUNJ-JLXBFWJWSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D1gI8Xev3qB
Name Hexadeca-2,4,15-trienoic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.224580204 u
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3,14-17H,1,4-13H2,2H3/b15-14+,17-16+
InChIKey PZADSPCUOQPUNJ-JLXBFWJWSA-N
SMILES C=CCCCCCCCCC\C=C\C=C\C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821923