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Fumaric acid, butyl 2-methyl-4-methoxybutyl ester

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

Fumaric acid, butyl 2-methyl-4-methoxybutyl ester
SpectraBase Compound ID BXyoof0ln5b
InChI InChI=1S/C14H24O5/c1-4-5-9-18-13(15)6-7-14(16)19-11-12(2)8-10-17-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+
InChIKey YVIYCIJKSHKSIK-VOTSOKGWSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3IsxWP0F8u
Name Fumaric acid, butyl 2-methyl-4-methoxybutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.162373868 u
Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-4-5-9-18-13(15)6-7-14(16)19-11-12(2)8-10-17-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+
InChIKey YVIYCIJKSHKSIK-VOTSOKGWSA-N
Molecular Weight 272.341 g/mol
SMILES C(COC(\C=C\C(=O)OCCCC)=O)(CCOC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98143