4-Nitrocatechol

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Systematic / IUPAC Name: 4-Nitrobenzene-1,2-diol

ID: Reference242

Other Names: 4-Nitropyrocatechol;
1,2-Dihydroxy-4-nitrobenzene;
4-Nitro-1,2-benzenediol;
p-Nitrocatechol;
4-Nitrobenzcatechin ; more

Formula: C6H5NO4

Spectral Data

4-Nitrocatechol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 302
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 11/27/2014 12:39:57 PM
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Identificators

InChI InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
InChI Key XJNPNXSISMKQEX-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1[N+](=O)[O-])O)O
CAS 3316094
Splash
Other Names 4-Nitropyrocatechol;
1,2-Dihydroxy-4-nitrobenzene;
4-Nitro-1,2-benzenediol;
p-Nitrocatechol;
4-Nitrobenzcatechin;
3,4-Dihydroxynitrobenzene;
3,4-Dihydroxy-1-nitrobenzene;
4-Nitro-1,2-dihydroxybenzene

In Other Databases

HMDb HMDB02916
ChemSpider 2745027
Wikipedia 4-Nitrobrenzcatechin (DE)
KEGG C02235
PubChem 3505109
ChEBI CHEBI:16318
ChEMBL CHEMBL42423
ChemIDPlus 003316094