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Fumaric acid, butyl 5-methoxy-3-methylpentyl ester

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

Fumaric acid, butyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID BxHSilxe1Ru
InChI InChI=1S/C15H26O5/c1-4-5-10-19-14(16)6-7-15(17)20-12-9-13(2)8-11-18-3/h6-7,13H,4-5,8-12H2,1-3H3/b7-6+
InChIKey FPVKXEBMZHCPFG-VOTSOKGWSA-N
Mol Weight 286.37 g/mol
Molecular Formula C15H26O5
Exact Mass 286.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CmkJEnr6bSs
Name Fumaric acid, butyl 5-methoxy-3-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.178023932 u
Formula C15H26O5
InChI InChI=1S/C15H26O5/c1-4-5-10-19-14(16)6-7-15(17)20-12-9-13(2)8-11-18-3/h6-7,13H,4-5,8-12H2,1-3H3/b7-6+
InChIKey FPVKXEBMZHCPFG-VOTSOKGWSA-N
SMILES CCCCOC(\C=C\C(OCCC(CCOC)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947914