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Octadeca-(10E,12Z)-dienoate

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

Octadeca-(10E,12Z)-dienoate <methyl->
SpectraBase Compound ID 69rdLdnNopw
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/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+
InChIKey KMXSXYSNZMSDFK-UQGDGPGGSA-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 H5StOtAf4Dh
Name Methyl 10-trans,12-cis-octadecadienoate
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/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+
InChIKey KMXSXYSNZMSDFK-UQGDGPGGSA-N
SMILES C(CCCCCCC\C=C\C=C/CCCCC)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957665