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1-Methyl-4-nitro-3-phenyl-2,1-benzisothiazoline - 2,2-dioxide
SpectraBase Compound ID 4FuiXXRLOsi
InChI InChI=1S/C14H12N2O4S/c1-15-11-8-5-9-12(16(17)18)13(11)14(21(15,19)20)10-6-3-2-4-7-10/h2-9,14H,1H3
InChIKey XMPFATQYLKIZEF-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C14H12N2O4S
Exact Mass 304.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxKpbrlWdIz
Name 1-Methyl-4-nitro-3-phenyl-2,1-benzisothiazoline - 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O4S
InChI InChI=1S/C14H12N2O4S/c1-15-11-8-5-9-12(16(17)18)13(11)14(21(15,19)20)10-6-3-2-4-7-10/h2-9,14H,1H3
InChIKey XMPFATQYLKIZEF-UHFFFAOYSA-N
Molecular Weight 304.320 g/mol
SMILES c12N(S(C(c1c(ccc2)N(=O)=O)c1ccccc1)(=O)=O)C
SPLASH splash10-000f-0691000000-544bb0b639f9bea54875
Source of Spectrum SK-27-141-2
Synonyms 1-Methyl-4-nitro-3-phenyl-benz[c]isothiazoline-2,2-dioxide
Wiley ID 867631