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4-Nitrocatechol
SpectraBase Compound ID H3U61DtRkLy
InChI InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
InChIKey XJNPNXSISMKQEX-UHFFFAOYSA-N
Mol Weight 155.11 g/mol
Molecular Formula C6H5NO4
Exact Mass 155.021858 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 61szpCEpXWO
Name 4-Nitrocatechol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 3316-09-4
ChEBI ID 16318
Comments 100 mM 4-Nitrocatechol - Aldrich N1,555-3; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C6 H5 N O4
IUPAC Name 4-nitrobenzene-1,2-diol
InChI InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
InChIKey XJNPNXSISMKQEX-UHFFFAOYSA-N
KEGG Compound ID C02235
KEGG Pathways PATH: map00361 gamma-Hexachlorocyclohexane degradation
PubChem Compound ID 1751
SMILES C1=CC(=C(C=C1[N+](=O)[O-])O)O
Source File Reference bmse000265