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7-NITRO-1H-BENZOTRIAZOLE
SpectraBase Compound ID 9H9gqGRhWT2
InChI InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKey AOCDQWRMYHJTMY-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 6KIhxLXiTFs
Name 5-Nitro-1H-benzo[d][1.2.3]triazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.033425383 u
Formula C6H4N4O2
InChI InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKey AOCDQWRMYHJTMY-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900463
Quality 209
SMILES N1N=NC2=C1C=CC(=C2)[N+]([O-])=O
SPLASH splash10-03di-9800000000-f8dcbf7f041a0bcce84f
Source of Spectrum K1-2019-5348-2f (DOI: 10.1002/ejoc.201900463)
Wiley ID 1892052