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

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

Fumaric acid, dodecyl 3-methylbut-3-enyl ester
SpectraBase Compound ID XH6dl39aaz
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h14-15H,2,4-13,16-18H2,1,3H3/b15-14+
InChIKey DTCZUGWZQZXGMM-CCEZHUSRSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8g88wf7sXPk
Name Fumaric acid, dodecyl 3-methylbut-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h14-15H,2,4-13,16-18H2,1,3H3/b15-14+
InChIKey DTCZUGWZQZXGMM-CCEZHUSRSA-N
Molecular Weight 352.515 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964561