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Fumaric acid, butyl 3,4-dimethylphenyl ester

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Fumaric acid, butyl 3,4-dimethylphenyl ester
SpectraBase Compound ID CLzd4B6p14Y
InChI InChI=1S/C16H20O4/c1-4-5-10-19-15(17)8-9-16(18)20-14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3/b9-8+
InChIKey WHDTYQUEAYDRKV-CMDGGOBGSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1jJV0phw3Cu
Name Fumaric acid, butyl 3,4-dimethylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-5-10-19-15(17)8-9-16(18)20-14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3/b9-8+
InChIKey WHDTYQUEAYDRKV-CMDGGOBGSA-N
SMILES C(\C=C\C(OC1=CC=C(C)C(C)=C1)=O)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825481