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

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

Fumaric acid, 3-methylbut-3-enyl pentyl ester
SpectraBase Compound ID KpSNN9uuZ8H
InChI InChI=1S/C14H22O4/c1-4-5-6-10-17-13(15)7-8-14(16)18-11-9-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3/b8-7+
InChIKey MMZCQQBYBOOSBC-BQYQJAHWSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Em3L2lNysMY
Name Fumaric acid, 3-methylbut-3-enyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-4-5-6-10-17-13(15)7-8-14(16)18-11-9-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3/b8-7+
InChIKey MMZCQQBYBOOSBC-BQYQJAHWSA-N
Molecular Weight 254.326 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979028