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6-Nitro-2-methyl-1,2-benzisothiazol-3-one-1-oxide
SpectraBase Compound ID CZu5cfcoYkM
InChI InChI=1S/C8H6N2O4S/c1-9-8(11)6-3-2-5(10(12)13)4-7(6)15(9)14/h2-4H,1H3
InChIKey QGOBDCWABMGFRO-UHFFFAOYSA-N
Mol Weight 226.21 g/mol
Molecular Formula C8H6N2O4S
Exact Mass 226.004828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pQBKEJFvBK
Name 6-Nitro-2-methyl-1,2-benzisothiazol-3-one-1-oxide
Alternate Name(s) 2-Methyl-6-nitro-1,2-benzisothiazol-3(2H)-one 1-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O4S
InChI InChI=1S/C8H6N2O4S/c1-9-8(11)6-3-2-5(10(12)13)4-7(6)15(9)14/h2-4H,1H3
InChIKey QGOBDCWABMGFRO-UHFFFAOYSA-N
Molecular Weight 226.206 g/mol
SMILES C1(N(S(c2c1ccc(c2)N(=O)=O)=O)C)=O
SPLASH splash10-014i-0930000000-24d458e7a1190767ca96
Source of Spectrum SO-0-1663-5
Wiley ID 878631