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4-Nitro-5-chloro-2,1-benzisothiazoline 2,2-dioxide
SpectraBase Compound ID GdkDb8N9wPp
InChI InChI=1S/C7H5ClN2O4S/c8-5-1-2-6-4(7(5)10(11)12)3-15(13,14)9-6/h1-2,9H,3H2
InChIKey YEOAYFICMQCJDL-UHFFFAOYSA-N
Mol Weight 248.64 g/mol
Molecular Formula C7H5ClN2O4S
Exact Mass 247.965856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXcJvumpZlB
Name 4-Nitro-5-chloro-2,1-benzisothiazoline 2,2-dioxide
Alternate Name(s) 5-Chloro-4-nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5ClN2O4S
InChI InChI=1S/C7H5ClN2O4S/c8-5-1-2-6-4(7(5)10(11)12)3-15(13,14)9-6/h1-2,9H,3H2
InChIKey YEOAYFICMQCJDL-UHFFFAOYSA-N
Molecular Weight 248.640 g/mol
SMILES N1c2ccc(c(c2CS1(=O)=O)N(=O)=O)Cl
SPLASH splash10-004j-4930000000-05202312eb838dfef333
Source of Spectrum O-28-853-0
Wiley ID 1250354