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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcTZmx4qp96
Name Benzeneacetic acid, 2,5-dihydroxy-
Alternate Name(s) 2-(2,5-dihydroxyphenyl)acetic acid (2,5-Dihydroxyphenyl)acetic acid 2,5-Dihydroxy-.alpha.-toluic acid 2,5-Dihydroxybenzeneacetic acid 2,5-Dihydroxyphenylacetate 2-[2,5-bis(oxidanyl)phenyl]ethanoic acid Acetic acid, (2,5-dihydroxyphenyl)- Alcapton Homogentisate Homogentisate acid Homogentisic acid Homogentisinic acid BRN 2692860 EINECS 207-192-7 NSC 88940
CAS Registry Number 451-13-8
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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
Molecular Weight 168.148 g/mol
SMILES Oc1cc(c(cc1)O)CC(=O)O
SPLASH splash10-0fkc-9800000000-7b58bba2eafa5ac1ddf1
Source of Spectrum EP-1655-0-0
Wiley ID 1164094