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(E)-5-Octadecen-7,9-diynoic-acid-methylester

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

(E)-5-Octadecen-7,9-diynoic-acid-methylester
SpectraBase Compound ID Av9ykC4FjFQ
InChI InChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h14-15H,3-9,16-18H2,1-2H3/b15-14+
InChIKey HTVMYQKUUWKVRO-CCEZHUSRSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EWak0pQBIZk
Name (E)-5-Octadecen-7,9-diynoic-acid-methylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h14-15H,3-9,16-18H2,1-2H3/b15-14+
InChIKey HTVMYQKUUWKVRO-CCEZHUSRSA-N
SMILES C(=O)(CCC\C=C\C#CC#CCCCCCCCC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981066