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Fumaric acid, 2-methylpent-3-yl undecyl ester

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

Fumaric acid, 2-methylpent-3-yl undecyl ester
SpectraBase Compound ID 2b5P1xYRPmG
InChI InChI=1S/C21H38O4/c1-5-7-8-9-10-11-12-13-14-17-24-20(22)15-16-21(23)25-19(6-2)18(3)4/h15-16,18-19H,5-14,17H2,1-4H3/b16-15+
InChIKey FBHJRCQBQGIDRY-FOCLMDBBSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GnK46UyMxA9
Name Fumaric acid, 2-methylpent-3-yl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.277009700 u
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-5-7-8-9-10-11-12-13-14-17-24-20(22)15-16-21(23)25-19(6-2)18(3)4/h15-16,18-19H,5-14,17H2,1-4H3/b16-15+
InChIKey FBHJRCQBQGIDRY-FOCLMDBBSA-N
Molecular Weight 354.531 g/mol
SMILES C(OC(CC)C(C)C)(\C=C\C(OCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902839