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3-(hydroxymethyl-6 nitro-1,2,3-benzotriazin-4(3H)-one
SpectraBase Compound ID 7NIqR6HjA7k
InChI InChI=1S/C8H6N4O4/c13-4-11-8(14)6-3-5(12(15)16)1-2-7(6)9-10-11/h1-3,13H,4H2
InChIKey MHSQMXPFVCONRL-UHFFFAOYSA-N
Mol Weight 222.16 g/mol
Molecular Formula C8H6N4O4
Exact Mass 222.038905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnMCtwdFmDA
Name 3-(hydroxymethyl-6 nitro-1,2,3-benzotriazin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N4O4
InChI InChI=1S/C8H6N4O4/c13-4-11-8(14)6-3-5(12(15)16)1-2-7(6)9-10-11/h1-3,13H,4H2
InChIKey MHSQMXPFVCONRL-UHFFFAOYSA-N
Molecular Weight 222.160 g/mol
SMILES OCN1N=Nc2c(C1=O)cc(N(=O)=O)cc2
SPLASH splash10-004l-9400000000-a97d8527b9822c12ea37
Source of Spectrum RB-1982-11317-0
Wiley ID 1221708