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methyl (9Z,12Z,15Z)-henicosa-9,12,15-trienoate

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

methyl (9Z,12Z,15Z)-henicosa-9,12,15-trienoate
SpectraBase Compound ID 9zgtOqCvgf
InChI InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h7-8,10-11,13-14H,3-6,9,12,15-21H2,1-2H3/b8-7-,11-10-,14-13-
InChIKey DFSWFXPNIBXIRK-JPFHKJGASA-N
Mol Weight 334.5 g/mol
Molecular Formula C22H38O2
Exact Mass 334.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KJO4GWrCqfm
Name Methyl (9Z,12Z,15Z)-henicosa-9,12,15-trienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.287180462 u
Formula C22H38O2
InChI InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h7-8,10-11,13-14H,3-6,9,12,15-21H2,1-2H3/b8-7-,11-10-,14-13-
InChIKey DFSWFXPNIBXIRK-JPFHKJGASA-N
Molecular Weight 334.544 g/mol
SMILES COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981851