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Fumaric acid, butyl 2-methylpentyl ester

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

Fumaric acid, butyl 2-methylpentyl ester
SpectraBase Compound ID 4pbOj5oA4zv
InChI InChI=1S/C14H24O4/c1-4-6-10-17-13(15)8-9-14(16)18-11-12(3)7-5-2/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+
InChIKey XSESWMZCIMKWKV-CMDGGOBGSA-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 2I6A2VshH27
Name Fumaric acid, butyl 2-methylpentyl 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/c1-4-6-10-17-13(15)8-9-14(16)18-11-12(3)7-5-2/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+
InChIKey XSESWMZCIMKWKV-CMDGGOBGSA-N
Molecular Weight 256.342 g/mol
SMILES C(OCC(C)CCC)(\C=C\C(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988471