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Fumaric acid, butyl heptyl ester

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

Fumaric acid, butyl heptyl ester
SpectraBase Compound ID E0FvoWN95uj
InChI InChI=1S/C15H26O4/c1-3-5-7-8-9-13-19-15(17)11-10-14(16)18-12-6-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKey LWMOQCACMYQLBP-ZHACJKMWSA-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 JHaLNo3s4l
Name Fumaric acid, butyl heptyl 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/c1-3-5-7-8-9-13-19-15(17)11-10-14(16)18-12-6-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKey LWMOQCACMYQLBP-ZHACJKMWSA-N
Molecular Weight 270.369 g/mol
SMILES C(\C=C\C(OCCCCCCC)=O)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957514