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3-Octenoic acid, octadecyl ester

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

3-Octenoic acid, octadecyl ester
SpectraBase Compound ID Gz3yPgpRxMG
InChI InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3/b22-20+
InChIKey SLEWGMIERWPGBS-LSDHQDQOSA-N
Mol Weight 394.7 g/mol
Molecular Formula C26H50O2
Exact Mass 394.381081 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IVaHl4LiWIY
Name 3-Octenoic acid, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.381080848 u
Formula C26H50O2
InChI InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3/b22-20+
InChIKey SLEWGMIERWPGBS-LSDHQDQOSA-N
Molecular Weight 394.684 g/mol
SMILES C(\C=C\CCCC)C(OCCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9632