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Fumaric acid, heptadecyl 2-octyl ester

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

Fumaric acid, heptadecyl 2-octyl ester
SpectraBase Compound ID BK8YHAwOt6V
InChI InChI=1S/C29H54O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-26-32-28(30)24-25-29(31)33-27(3)23-21-9-7-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey UWZHIJJDJPBVAA-OCOZRVBESA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jz5E1UFTguz
Name Fumaric acid, heptadecyl 2-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-26-32-28(30)24-25-29(31)33-27(3)23-21-9-7-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey UWZHIJJDJPBVAA-OCOZRVBESA-N
Molecular Weight 466.747 g/mol
SMILES C(CCOC(\C=C\C(OC(CCCCCC)C)=O)=O)CCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953507