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1,1-Diketo-6-nitro-1,2-benzothiazol-3-one
SpectraBase Compound ID CsCtnXEt47f
InChI InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChIKey HZZFBUZSKAVIOV-UHFFFAOYSA-N
Mol Weight 228.18 g/mol
Molecular Formula C7H4N2O5S
Exact Mass 227.984092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9n9VAw68cpl
Name 1,1-Diketo-6-nitro-1,2-benzothiazol-3-one
CAS Registry Number 22952-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O5S
InChI InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChIKey HZZFBUZSKAVIOV-UHFFFAOYSA-N
Molecular Weight 228.178 g/mol
SMILES N1C(c2c(S1(=O)=O)cc(cc2)N(=O)=O)=O
SPLASH splash10-004i-5910000000-1a2b7a10ef4e6fc92a12
Source of Spectrum SO-0-1663-9
Synonyms 6-Nitro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide 1,2-Benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide 1,2-Benzisothiazolin-3-one, 6-nitro-, 1,1-dioxide 6-Nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one 6-Nitro-1,1-dioxo-1,2-benzothiazol-3-one 6-Nitro-1,1-dioxo-1,2-dihydro-1.lambda.(6)-benzo[d]isothiazol-3-one 6-Nitro-2,3-dihydro-1H-1.lambda.-6-benzo[d]isothiazole-1,1,3-trione NSC 358278
Wiley ID 878621