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Fumaric acid, decyl 4-methylpent-2-yl ester

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

Fumaric acid, decyl 4-methylpent-2-yl ester
SpectraBase Compound ID LjKbCRse4lR
InChI InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-15-23-19(21)13-14-20(22)24-18(4)16-17(2)3/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+
InChIKey GMXRWSOYSWOFIN-BUHFOSPRSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHpcg42zcLv
Name Fumaric acid, decyl 4-methylpent-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-15-23-19(21)13-14-20(22)24-18(4)16-17(2)3/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+
InChIKey GMXRWSOYSWOFIN-BUHFOSPRSA-N
Molecular Weight 340.504 g/mol
SMILES C(OC(C)CC(C)C)(\C=C\C(OCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959138