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Fumaric acid, 3-methylbut-3-enyl tridecyl ester

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

Fumaric acid, 3-methylbut-3-enyl tridecyl ester
SpectraBase Compound ID Gys22rXIrST
InChI InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(2)3/h15-16H,2,4-14,17-19H2,1,3H3/b16-15+
InChIKey CHDVQAZTHZAICP-FOCLMDBBSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GpnWDTEGihL
Name Fumaric acid, 3-methylbut-3-enyl tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(2)3/h15-16H,2,4-14,17-19H2,1,3H3/b16-15+
InChIKey CHDVQAZTHZAICP-FOCLMDBBSA-N
Molecular Weight 366.542 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946782