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

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

Fumaric acid, 4-methylpent-2-yl tetradecyl ester
SpectraBase Compound ID Bd43IvZE3oz
InChI InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-27-23(25)17-18-24(26)28-22(4)20-21(2)3/h17-18,21-22H,5-16,19-20H2,1-4H3/b18-17+
InChIKey GDJVYZAFHFYSFN-ISLYRVAYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5iBeB0W1cO0
Name Fumaric acid, 4-methylpent-2-yl tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.323959893 u
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-27-23(25)17-18-24(26)28-22(4)20-21(2)3/h17-18,21-22H,5-16,19-20H2,1-4H3/b18-17+
InChIKey GDJVYZAFHFYSFN-ISLYRVAYSA-N
Molecular Weight 396.612 g/mol
SMILES C(OC(C)CC(C)C)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921204