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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 BQRxeZ1Iudd
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 C1(N(S(c2cc(cc(c12)N(=O)=O)N(=O)=O)=O)C)=O
SPLASH splash10-00di-0920000000-5351d6efbfeddc8cc507
Source of Spectrum J-65-8443-25
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 1533869