For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-keto-4,6-dinitro-1,2-benzothiazol-3-one
SpectraBase Compound ID KbE9qX6J7Ny
InChI InChI=1S/C7H3N3O6S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)17(16)8-7/h1-2H,(H,8,11)
InChIKey HEMARIRAUVSIOZ-UHFFFAOYSA-N
Mol Weight 257.18 g/mol
Molecular Formula C7H3N3O6S
Exact Mass 256.974256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FTs9Uhgvn0d
Name 1-keto-4,6-dinitro-1,2-benzothiazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3N3O6S
InChI InChI=1S/C7H3N3O6S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)17(16)8-7/h1-2H,(H,8,11)
InChIKey HEMARIRAUVSIOZ-UHFFFAOYSA-N
Molecular Weight 257.176 g/mol
SMILES N1C(c2c(S1=O)cc(cc2N(=O)=O)N(=O)=O)=O
SPLASH splash10-00di-9520000000-56a92f7d50d8cf74280e
Source of Spectrum J-65-8443-23
Synonyms 4,6-Dinitro-1-oxidanylidene-1,2-benzothiazol-3-one 4,6-Dinitro-1-oxo-1,2-benzothiazol-3-one
Wiley ID 1533871