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Methyl octadecan-10(E),12(E)-dien-9-onoate

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

Methyl octadecan-10(E),12(E)-dien-9-onoate
SpectraBase Compound ID 9jywf8fbeId
InChI InChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+
InChIKey XOSMLGFHFPGNQV-KDFHGORWSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4LkrQ87uEaS
Name Methyl octadecan-10(E),12(E)-dien-9-onoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.235144887 u
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+
InChIKey XOSMLGFHFPGNQV-KDFHGORWSA-N
Molecular Weight 308.462 g/mol
SMILES C(=O)(OC)CCCCCCCC(\C=C\C=C\CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978734