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4-NITRO-1-METHYL-BENZOTRIAZOLE
SpectraBase Compound ID Jm0dD0zbyj
InChI InChI=1S/C7H6N4O2/c1-10-5-3-2-4-6(11(12)13)7(5)8-9-10/h2-4H,1H3
InChIKey HFYKTFXFSPENJV-UHFFFAOYSA-N
Mol Weight 178.15 g/mol
Molecular Formula C7H6N4O2
Exact Mass 178.049075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1nHzKIB6K8
Name 1H-Benzotriazole, 1-methyl-4-nitro-
CAS Registry Number 27799-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4O2
InChI InChI=1S/C7H6N4O2/c1-10-5-3-2-4-6(11(12)13)7(5)8-9-10/h2-4H,1H3
InChIKey HFYKTFXFSPENJV-UHFFFAOYSA-N
Molecular Weight 178.151 g/mol
SMILES C[n]1c2cccc(c2nn1)N(=O)=O
SPLASH splash10-004r-5900000000-4bb54b1497339ab15230
Source of Spectrum O-3-373-3
Synonyms 1-Methyl-4-nitro-1H-1,2,3-benzotriazole 1-Methyl-4-nitro-benzotriazole
Wiley ID 1173594