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Fumaric acid, dec-4-enyl tetradecyl ester

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

Fumaric acid, dec-4-enyl tetradecyl ester
SpectraBase Compound ID CBFhK8uOru8
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-17-12-10-8-6-4-2/h12,17,23-24H,3-11,13-16,18-22,25-26H2,1-2H3/b17-12+,24-23+
InChIKey HRNSUFFPBMZNHF-BLXZHEFOSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CQDrwSoYs7R
Name Fumaric acid, dec-4-enyl tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-17-12-10-8-6-4-2/h12,17,23-24H,3-11,13-16,18-22,25-26H2,1-2H3/b17-12+,24-23+
InChIKey HRNSUFFPBMZNHF-BLXZHEFOSA-N
Molecular Weight 450.704 g/mol
SMILES C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951446