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Homogentisic acid

View entire compound with spectra: 15 NMR, 4 FTIR, 2 UV-Vis, and 3 MS (GC)

Homogentisic acid
SpectraBase Compound ID B9ZU0iQqzOE
InChI InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKey IGMNYECMUMZDDF-UHFFFAOYSA-N
Mol Weight 168.15 g/mol
Molecular Formula C8H8O4
Exact Mass 168.042259 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 49F2ZrYl0YK
Name Homogentisic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 168688
CAS Registry Number 451-13-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O4
InChI InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKey IGMNYECMUMZDDF-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,5-Dihydroxyphenylacetic acid
Wiley ID SIAL_1HNMR_002035