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1-Methyl-4-nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
SpectraBase Compound ID 5DVrltUGq3
InChI InChI=1S/C8H8N2O4S/c1-9-7-3-2-4-8(10(11)12)6(7)5-15(9,13)14/h2-4H,5H2,1H3
InChIKey MGFQBTJYGUHKKO-UHFFFAOYSA-N
Mol Weight 228.22 g/mol
Molecular Formula C8H8N2O4S
Exact Mass 228.020478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDQr7G9prmq
Name 1-Methyl-4-nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
CAS Registry Number 94514-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O4S
InChI InChI=1S/C8H8N2O4S/c1-9-7-3-2-4-8(10(11)12)6(7)5-15(9,13)14/h2-4H,5H2,1H3
InChIKey MGFQBTJYGUHKKO-UHFFFAOYSA-N
Molecular Weight 228.222 g/mol
SMILES c12N(S(Cc1c(ccc2)N(=O)=O)(=O)=O)C
SPLASH splash10-00os-8950000000-4c97f90530eca6a01264
Source of Spectrum O-28-853-0
Synonyms 1-Methyl-4-nitro-2,1-benzisothiazoline, 2,2-dioxide 1-Methyl-4-nitro-3H-2,1-benzothiazole 2,2-dioxide
Wiley ID 1229056