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2-Benzyl-1-keto-4,6-dinitro-1,2-benzothiazol-3-one
SpectraBase Compound ID ChxJUOItBfd
InChI InChI=1S/C14H9N3O6S/c18-14-13-11(17(21)22)6-10(16(19)20)7-12(13)24(23)15(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey QLSAUETWQATGKK-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C14H9N3O6S
Exact Mass 347.021206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kQQHLw8zw
Name 2-Benzyl-1-keto-4,6-dinitro-1,2-benzothiazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9N3O6S
InChI InChI=1S/C14H9N3O6S/c18-14-13-11(17(21)22)6-10(16(19)20)7-12(13)24(23)15(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey QLSAUETWQATGKK-UHFFFAOYSA-N
Molecular Weight 347.301 g/mol
SMILES c12S(N(C(c1c(cc(c2)N(=O)=O)N(=O)=O)=O)Cc1ccccc1)=O
SPLASH splash10-0a4l-9800000000-4fb589f4dea978f1d6b5
Source of Spectrum SO-0-1663-5
Synonyms 2-Benzyl-4,6-dinitro-1,2-benzisothiazol-3(2H)-one 1-oxide 2-Benzyl-4,6-dinitro-1-oxo-1,2-benzothiazol-3-one 4,6-Dinitro-1-oxidanylidene-2-(phenylmethyl)-1,2-benzothiazol-3-one 4,6-Dinitro-1-oxo-2-(phenylmethyl)-1,2-benzothiazol-3-one
Wiley ID 878629