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2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazine-3,5-dione
SpectraBase Compound ID 6ihZKQ2EDaN
InChI InChI=1S/C9H5N3O2S/c13-7-5-3-1-2-4-6(5)15-9-11-10-8(14)12(7)9/h1-4H,(H,10,14)
InChIKey YRJMOBUJNDUZNF-UHFFFAOYSA-N
Mol Weight 219.22 g/mol
Molecular Formula C9H5N3O2S
Exact Mass 219.010248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EoFJsHKGDM
Name 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazine-3,5-dione
CAS Registry Number 128287-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5N3O2S
InChI InChI=1S/C9H5N3O2S/c13-7-5-3-1-2-4-6(5)15-9-11-10-8(14)12(7)9/h1-4H,(H,10,14)
InChIKey YRJMOBUJNDUZNF-UHFFFAOYSA-N
Molecular Weight 219.218 g/mol
SMILES Oc1[n]2c(nn1)Sc1c(C2=O)cccc1
SPLASH splash10-014i-0590000000-d092df65e3f3927154b5
Source of Spectrum Y-27-395-2
Synonyms 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazine-3,5-quinone 3-Hydroxy-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
Wiley ID 1218622