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1H-benzotriazole
SpectraBase Compound ID IaJUkL49d5A
InChI InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey QRUDEWIWKLJBPS-UHFFFAOYSA-N
Mol Weight 119.13 g/mol
Molecular Formula C6H5N3
Exact Mass 119.048347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QqY1XwE1eh
Name 2H-Benzotriazole
CAS Registry Number 95-14-7
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 119.048347173 u
Formula C6H5N3
InChI InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey QRUDEWIWKLJBPS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 119.127 g/mol
Nominal Mass 119 u
Quality 847
Retention Index 1116
SMILES C1=2C(=NNN2)C=CC=C1
SPLASH splash10-03xu-9200000000-a9fbc7e54bc1d71a4d4b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms BTA
Technique GC/MS
Wiley ID DD2024_027852