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5-NITRO-1-METHYL-BENZOTRIAZOLE
SpectraBase Compound ID GapVD3kRCpm
InChI InChI=1S/C7H6N4O2/c1-10-7-3-2-5(11(12)13)4-6(7)8-9-10/h2-4H,1H3
InChIKey BQPFSSQRLBUMQC-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 7FtcHCsF6or
Name 1H-Benzotriazole, 1-methyl-5-nitro-
CAS Registry Number 25877-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4O2
InChI InChI=1S/C7H6N4O2/c1-10-7-3-2-5(11(12)13)4-6(7)8-9-10/h2-4H,1H3
InChIKey BQPFSSQRLBUMQC-UHFFFAOYSA-N
Molecular Weight 178.151 g/mol
SMILES c1(N(=O)=O)cc2c([n](C)nn2)cc1
SPLASH splash10-0h00-9800000000-99e49d8f222ba602718d
Source of Spectrum O-3-373-3
Synonyms 1-Methyl-5-nitro-1H-1,2,3-benzotriazole 1-Methyl-5-nitro-1,2,3-benzotriazole 1-Methyl-5-nitro-benzotriazole
Wiley ID 1173595