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Fumaric acid, 2,4-dimethylpent-3-yl propyl ester

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

Fumaric acid, 2,4-dimethylpent-3-yl propyl ester
SpectraBase Compound ID 3fMKQ3wxm6g
InChI InChI=1S/C14H24O4/c1-6-9-17-12(15)7-8-13(16)18-14(10(2)3)11(4)5/h7-8,10-11,14H,6,9H2,1-5H3/b8-7+
InChIKey AIBLZADNUJSYBQ-BQYQJAHWSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9HFIUS9tDwi
Name Fumaric acid, 2,4-dimethylpent-3-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-6-9-17-12(15)7-8-13(16)18-14(10(2)3)11(4)5/h7-8,10-11,14H,6,9H2,1-5H3/b8-7+
InChIKey AIBLZADNUJSYBQ-BQYQJAHWSA-N
Molecular Weight 256.342 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866894