Benzotriazole

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Systematic / IUPAC Name: 1H-Benzotriazole

ID: Reference1000

Other Names: Azimidobenzene;
1,2,3-Benzotriazole;
Aziminobenzene;
Benzisotriazole;
Benzene azimide ; more

Formula: C6H5N3

Class: Industrial Chemicals

Spectral Data

Benzotriazole 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 LTQ Orbitrap XL; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 161
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/1/2014 12:12:10 PM
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Identificators

InChI InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)NN=N2
CAS 95147
Splash
Other Names Azimidobenzene;
1,2,3-Benzotriazole;
Aziminobenzene;
Benzisotriazole;
Benzene azimide;
2,3-Diazaindole;
Benztriazole;
1H-1,2,3-Benzotriazole;
1,2,3-Triazaindene;
1H-Benzo[d][1,2,3]triazole;
Pseudoazimidobenzene;
1,2,3-Benztriazole;
1,2,3-1H-Benzotriazole

In Other Databases

ChEMBL CHEMBL84963
ChEBI CHEBI:75331
PubChem 7220
ChemSpider 6950
ChemIDPlus 000095147; 090683275; 000273029; 015217422; 022257449; 060303084; 064601098; 064681125; 109348552; 064653970
Wikipedia Benzotriazole