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3-Methyl-2-butenoic acid, 4-methoxybenzyl ester

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

3-Methyl-2-butenoic acid, 4-methoxybenzyl ester
SpectraBase Compound ID Be5vlEhS6Jl
InChI InChI=1S/C13H16O3/c1-10(2)8-13(14)16-9-11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3
InChIKey COMSVZXYBLMUSV-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KyxkWEnzBjT
Name 3-Methyl-2-butenoic acid, 4-methoxybenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(2)8-13(14)16-9-11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3
InChIKey COMSVZXYBLMUSV-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES COC1=CC=C(C=C1)COC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960704