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(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-2-propenoic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-2-propenoic acid methyl ester
SpectraBase Compound ID 9qPP2AmtGQv
InChI InChI=1S/C12H12O4/c1-8(12(13)14-2)5-9-3-4-10-11(6-9)16-7-15-10/h3-6H,7H2,1-2H3/b8-5+
InChIKey ONRIBRPCDSNRTI-VMPITWQZSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Drem2FRrp7L
Name Methyl (3,4-methylenedioxy)-.alpha.-methylcinnamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.073558862 u
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-8(12(13)14-2)5-9-3-4-10-11(6-9)16-7-15-10/h3-6H,7H2,1-2H3/b8-5+
InChIKey ONRIBRPCDSNRTI-VMPITWQZSA-N
Molecular Weight 220.224 g/mol
SMILES C(\C(=C\C1=CC2=C(C=C1)OCO2)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969003