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5-NITRO-1H-BENZOTRIAZOLE
SpectraBase Compound ID 5I1qOlJwnrd
InChI InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChIKey UTMDJGPRCLQPBT-UHFFFAOYSA-N
Mol Weight 164.12 g/mol
Molecular Formula C6H4N4O2
Exact Mass 164.033425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Brz8PmBgVB4
Name 7-Nitro-1H-1,2,3-benzotriazole
CAS Registry Number 6299-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4N4O2
InChI InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChIKey UTMDJGPRCLQPBT-UHFFFAOYSA-N
Molecular Weight 164.124 g/mol
SMILES [nH]1c2c(nn1)cccc2N(=O)=O
SPLASH splash10-03di-9100000000-1c4a327f61b11d4f6f47
Source of Spectrum AD-0-2532-0
Synonyms 1H-Benzotriazole, 4-nitro- 4-Nitro-1H-benzotriazole 4-Nitro-2H-benzotriazole 4-Nitrobenzotriazole 7-Nitro-1H-benzotriazole Benzotriazole, 4-nitro-
Wiley ID 1422842