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Fumaric acid, 2-methoxyphenyl 3-methylbut-2-yl ester

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

Fumaric acid, 2-methoxyphenyl 3-methylbut-2-yl ester
SpectraBase Compound ID Ejadaayx7Ge
InChI InChI=1S/C16H20O5/c1-11(2)12(3)20-15(17)9-10-16(18)21-14-8-6-5-7-13(14)19-4/h5-12H,1-4H3/b10-9+
InChIKey ZXSHXGYSXHWSNC-MDZDMXLPSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HLCiRpw7sO
Name Fumaric acid, 2-methoxyphenyl 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.131073739 u
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-11(2)12(3)20-15(17)9-10-16(18)21-14-8-6-5-7-13(14)19-4/h5-12H,1-4H3/b10-9+
InChIKey ZXSHXGYSXHWSNC-MDZDMXLPSA-N
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OC1=C(OC)C=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850276