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

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

Fumaric acid, heptyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID 2oaEh5rdmr4
InChI InChI=1S/C16H26O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h9-11H,4-8,12-13H2,1-3H3/b10-9+
InChIKey SSZSCSKJTBJWJH-MDZDMXLPSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 200jJ3FtTSu
Name Fumaric acid, heptyl 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 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h9-11H,4-8,12-13H2,1-3H3/b10-9+
InChIKey SSZSCSKJTBJWJH-MDZDMXLPSA-N
SMILES C(COC(\C=C\C(OCCCCCCC)=O)=O)=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871765