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7-NITRO-1-METHYL-BENZOTRIAZOLE
SpectraBase Compound ID 4pMLs75TEP5
InChI InChI=1S/C7H6N4O2/c1-10-7-5(8-9-10)3-2-4-6(7)11(12)13/h2-4H,1H3
InChIKey XCAKJJBLSHSJNZ-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 DYoipXuIt2l
Name 1H-Benzotriazole, 1-methyl-7-nitro-
Alternate Name(s) 1-Methyl-7-nitro-1H-1,2,3-benzotriazole 1-Methyl-7-nitro-benzotriazole
CAS Registry Number 14209-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4O2
InChI InChI=1S/C7H6N4O2/c1-10-7-5(8-9-10)3-2-4-6(7)11(12)13/h2-4H,1H3
InChIKey XCAKJJBLSHSJNZ-UHFFFAOYSA-N
Molecular Weight 178.151 g/mol
SMILES C[n]1c2c(cccc2N(=O)=O)nn1
SPLASH splash10-004i-9800000000-fe9d547d494421ed925b
Source of Spectrum O-3-373-3
Wiley ID 1173597