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3,4-Methylenedioxyphenylacetic acid

View entire compound with spectra: 4 NMR, 5 FTIR, 1 UV-Vis, and 5 MS (GC)

3,4-Methylenedioxyphenylacetic acid
SpectraBase Compound ID 86muWPMl6DB
InChI InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey ODVLMCWNGKLROU-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KPKREYF7wm3
Name 3,4-(Methylenedioxy)phenylacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 329673
CAS Registry Number 2861-28-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey ODVLMCWNGKLROU-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3-Benzodioxole-5-acetic acid; Homopiperonylic acid
Wiley ID SIAL_13CNMR_006610