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Fumaric acid, hexyl 3-methylbut-2-en-1-yl ester

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

Fumaric acid, hexyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID 8AefKtEbC7c
InChI InChI=1S/C15H24O4/c1-4-5-6-7-11-18-14(16)8-9-15(17)19-12-10-13(2)3/h8-10H,4-7,11-12H2,1-3H3/b9-8+
InChIKey XJZAWNNOTSKOPA-CMDGGOBGSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HDFQqteBF
Name Fumaric acid, hexyl 3-methylbut-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-4-5-6-7-11-18-14(16)8-9-15(17)19-12-10-13(2)3/h8-10H,4-7,11-12H2,1-3H3/b9-8+
InChIKey XJZAWNNOTSKOPA-CMDGGOBGSA-N
Molecular Weight 268.353 g/mol
SMILES C(COC(\C=C\C(OCCCCCC)=O)=O)=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884789