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

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

Fumaric acid, butyl 2,4-dimethylpent-3-yl ester
SpectraBase Compound ID 1UFpQLqvx9j
InChI InChI=1S/C15H26O4/c1-6-7-10-18-13(16)8-9-14(17)19-15(11(2)3)12(4)5/h8-9,11-12,15H,6-7,10H2,1-5H3/b9-8+
InChIKey PWWSDFHFPYOXJO-CMDGGOBGSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G6pnrfSz3yH
Name Fumaric acid, butyl 2,4-dimethylpent-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-6-7-10-18-13(16)8-9-14(17)19-15(11(2)3)12(4)5/h8-9,11-12,15H,6-7,10H2,1-5H3/b9-8+
InChIKey PWWSDFHFPYOXJO-CMDGGOBGSA-N
Molecular Weight 270.369 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823617