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2-Heptenoic acid, octadecyl ester

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

2-Heptenoic acid, octadecyl ester
SpectraBase Compound ID 9FGKwxuszbT
InChI InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h21,23H,3-20,22,24H2,1-2H3/b23-21+
InChIKey PZRJMITWENUEBQ-XTQSDGFTSA-N
Mol Weight 380.7 g/mol
Molecular Formula C25H48O2
Exact Mass 380.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApIh3kId6M8
Name 2-Heptenoic acid, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.365430784 u
Formula C25H48O2
InChI InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h21,23H,3-20,22,24H2,1-2H3/b23-21+
InChIKey PZRJMITWENUEBQ-XTQSDGFTSA-N
Molecular Weight 380.657 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969456