Nitrobenzene

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Systematic / IUPAC Name: Nitrobenzene

ID: Reference2813

Other Names: Essence of mirbane;
Essence of myrbane;
Mirbane oil;
Oil of mirbane;
Oil of myrbane ; more

Formula: C6H5NO2

Class: Extractables/Leachables Industrial Chemicals Textile Chemicals/Auxiliary/Dyes Excipients/Additives/Colorants Pesticides/Herbicides

Spectral Data

Nitrobenzene 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/29/2018 8:45:34 AM
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Identificators

InChI InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI Key LQNUZADURLCDLV-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)[N+](=O)[O-]
CAS 98953
Splash
Other Names Essence of mirbane;
Essence of myrbane;
Mirbane oil;
Oil of mirbane;
Oil of myrbane;
Benzene, nitro-;
Mononitrobenzene;
Nitrobenzen;
Nitrobenzol, liquid;
NBZ

In Other Databases

ChemSpider 7138
ChEBI CHEBI:27798
Wikipedia Nitrobenzene
HMDb HMDB41950
PubChem 7416
KEGG C06813
ChemIDPlus 000098953; 026969404