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4-Nitro-7-methyl-2,1-benzisothiazoline 2,2-dioxide
SpectraBase Compound ID 3l0CxbnRk5T
InChI InChI=1S/C8H8N2O4S/c1-5-2-3-7(10(11)12)6-4-15(13,14)9-8(5)6/h2-3,9H,4H2,1H3
InChIKey KKKRMVHAVQMCDN-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 ApcJplZIjX0
Name 4-Nitro-7-methyl-2,1-benzisothiazoline 2,2-dioxide
Alternate Name(s) 7-Methyl-4-nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O4S
InChI InChI=1S/C8H8N2O4S/c1-5-2-3-7(10(11)12)6-4-15(13,14)9-8(5)6/h2-3,9H,4H2,1H3
InChIKey KKKRMVHAVQMCDN-UHFFFAOYSA-N
Molecular Weight 228.222 g/mol
SMILES N1c2c(ccc(c2CS1(=O)=O)N(=O)=O)C
SPLASH splash10-004i-6950000000-6542f73c4960e91c198e
Source of Spectrum O-28-853-0
Wiley ID 1229057