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1,2-benzisothiazol-3(2H)-one, 2-methyl-4,6-dinitro-, 1-oxide
SpectraBase Compound ID XnSyzTemdV
InChI InChI=1S/C8H5N3O6S/c1-9-8(12)7-5(11(15)16)2-4(10(13)14)3-6(7)18(9)17/h2-3H,1H3
InChIKey QQTWFVJZLUIUSF-UHFFFAOYSA-N
Mol Weight 271.2 g/mol
Molecular Formula C8H5N3O6S
Exact Mass 270.989906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPXDZ3Fzcdj
Name 1,2-Benzisothiazol-3(2H)-one, 2-methyl-4,6-dinitro-, 1-oxide
CAS Registry Number 321372-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5N3O6S
InChI InChI=1S/C8H5N3O6S/c1-9-8(12)7-5(11(15)16)2-4(10(13)14)3-6(7)18(9)17/h2-3H,1H3
InChIKey QQTWFVJZLUIUSF-UHFFFAOYSA-N
Molecular Weight 271.203 g/mol
SMILES CN1S(c2c(c(N(=O)=O)cc(N(=O)=O)c2)C1=O)=O
SPLASH splash10-00dl-9710000000-1181c76891ed61d2c4a2
Synonyms 2-Methyl-4,6-dinitro-1,2-benzisothiazol-3(2H)-one 1-oxide 1-keto-2-methyl-4,6-dinitro-1,2-benzothiazol-3-one 2-Methyl-4,6-dinitro-1-oxidanylidene-1,2-benzothiazol-3-one 2-Methyl-4,6-dinitro-1-oxo-1,2-benzothiazol-3-one
Wiley ID 1456554