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Fumaric acid, 4-methylpent-2-yl pentyl ester

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

Fumaric acid, 4-methylpent-2-yl pentyl ester
SpectraBase Compound ID BvbBtZRGfkr
InChI InChI=1S/C15H26O4/c1-5-6-7-10-18-14(16)8-9-15(17)19-13(4)11-12(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+
InChIKey JEQDKYZBZYZQBC-CMDGGOBGSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JDt5zvqpKbV
Name Fumaric acid, 4-methylpent-2-yl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-5-6-7-10-18-14(16)8-9-15(17)19-13(4)11-12(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+
InChIKey JEQDKYZBZYZQBC-CMDGGOBGSA-N
Molecular Weight 270.369 g/mol
SMILES C(OC(C)CC(C)C)(\C=C\C(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979663