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6-Nitro-2-phenyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
SpectraBase Compound ID CtuHpDrcBqU
InChI InChI=1S/C13H8N2O5S/c16-13-11-7-6-10(15(17)18)8-12(11)21(19,20)14(13)9-4-2-1-3-5-9/h1-8H
InChIKey FASUMANJBDEXRK-UHFFFAOYSA-N
Mol Weight 304.28 g/mol
Molecular Formula C13H8N2O5S
Exact Mass 304.015393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A249V1pECXb
Name 6-Nitro-2-phenyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS Registry Number 93138-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N2O5S
InChI InChI=1S/C13H8N2O5S/c16-13-11-7-6-10(15(17)18)8-12(11)21(19,20)14(13)9-4-2-1-3-5-9/h1-8H
InChIKey FASUMANJBDEXRK-UHFFFAOYSA-N
Molecular Weight 304.276 g/mol
SMILES c1ccc(N2S(c3c(ccc(N(=O)=O)c3)C2=O)(=O)=O)cc1
SPLASH splash10-0ufu-9403000000-9435a0da7f7196b073c3
Synonyms 1,1-Diketo-6-nitro-2-phenyl-1,2-benzothiazol-3-one 1,2-Benzisothiazol-3(2H)-one, 6-nitro-2-phenyl-, 1,1-dioxide 6-Nitro-1,1-bis(oxidanylidene)-2-phenyl-1,2-benzothiazol-3-one 6-Nitro-1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one
Wiley ID 1455621