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Fumaric acid, heptyl isobutyl ester

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

Fumaric acid, heptyl isobutyl ester
SpectraBase Compound ID 7FNRaNi1qdk
InChI InChI=1S/C15H26O4/c1-4-5-6-7-8-11-18-14(16)9-10-15(17)19-12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3/b10-9+
InChIKey XDUIKIMWJNAFQB-MDZDMXLPSA-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 KQ2WRdTBVAJ
Name Fumaric acid, heptyl isobutyl 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/c1-4-5-6-7-8-11-18-14(16)9-10-15(17)19-12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3/b10-9+
InChIKey XDUIKIMWJNAFQB-MDZDMXLPSA-N
Molecular Weight 270.369 g/mol
SMILES C(\C=C\C(OCCCCCCC)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951195