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17-Oxolinoleic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

17-Oxolinoleic acid, methyl ester
SpectraBase Compound ID JCbhBad964u
InChI InChI=1S/C19H32O3/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22-2/h3-4,8,10H,5-7,9,11-17H2,1-2H3/b4-3-,10-8-
InChIKey GRDDGHNKPSSLBI-YHOGECKDSA-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 5NcGCyuA8rN
Name 17-Oxolinoleic acid, methyl ester
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/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22-2/h3-4,8,10H,5-7,9,11-17H2,1-2H3/b4-3-,10-8-
InChIKey GRDDGHNKPSSLBI-YHOGECKDSA-N
Molecular Weight 308.462 g/mol
SMILES C(=O)(OC)CCCCCCC\C=C/C\C=C/CCCC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970149