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Fumaric acid, 2-hexyl isohexyl ester

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

Fumaric acid, 2-hexyl isohexyl ester
SpectraBase Compound ID K3FwWa2FHyb
InChI InChI=1S/C16H28O4/c1-5-6-9-14(4)20-16(18)11-10-15(17)19-12-7-8-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+
InChIKey LNZGJSYZGVPIPE-ZHACJKMWSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7CevcERLs2l
Name Fumaric acid, 2-hexyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-6-9-14(4)20-16(18)11-10-15(17)19-12-7-8-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+
InChIKey LNZGJSYZGVPIPE-ZHACJKMWSA-N
SMILES C(OC(C)CCCC)(\C=C\C(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977152