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Fumaric acid, allyl octyl ester

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

Fumaric acid, allyl octyl ester
SpectraBase Compound ID 2epSTbYh2c8
InChI InChI=1S/C15H24O4/c1-3-5-6-7-8-9-13-19-15(17)11-10-14(16)18-12-4-2/h4,10-11H,2-3,5-9,12-13H2,1H3/b11-10+
InChIKey NMGLWRFKFVFYPB-ZHACJKMWSA-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 Jpmha0vv6eP
Name Fumaric acid, allyl octyl 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/c1-3-5-6-7-8-9-13-19-15(17)11-10-14(16)18-12-4-2/h4,10-11H,2-3,5-9,12-13H2,1H3/b11-10+
InChIKey NMGLWRFKFVFYPB-ZHACJKMWSA-N
Molecular Weight 268.353 g/mol
SMILES C(\C=C\C(OCC=C)=O)(OCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891495