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(13Z,16Z,19Z)-docosatrienoate

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

(13Z,16Z,19Z)-docosatrienoate <methyl->
SpectraBase Compound ID ucGmccJokP
InChI InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey RXNIYBHTXVTSAK-YSTUJMKBSA-N
Mol Weight 348.6 g/mol
Molecular Formula C23H40O2
Exact Mass 348.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FgTPOBY9hTK
Name (13Z,16Z,19Z)-Docosatrienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.302830526 u
Formula C23H40O2
InChI InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey RXNIYBHTXVTSAK-YSTUJMKBSA-N
Molecular Weight 348.571 g/mol
SMILES C(CCCCCCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908884