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3,4-Methylenedioxyphenylacetic acid, isopropyl ester

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

3,4-Methylenedioxyphenylacetic acid, isopropyl ester
SpectraBase Compound ID 8tgZptA1DK2
InChI InChI=1S/C12H14O4/c1-8(2)16-12(13)6-9-3-4-10-11(5-9)15-7-14-10/h3-5,8H,6-7H2,1-2H3
InChIKey PNGCJNRFEJPSJH-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID rp0jXCt0cY
Name 3,4-Methylenedioxyphenylacetic acid, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8(2)16-12(13)6-9-3-4-10-11(5-9)15-7-14-10/h3-5,8H,6-7H2,1-2H3
InChIKey PNGCJNRFEJPSJH-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(CC1=CC2=C(C=C1)OCO2)(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956909