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2-(4-bromophenyl)-1-keto-4,6-dinitro-1,2-benzothiazol-3-one
SpectraBase Compound ID 9eUuvT1uzat
InChI InChI=1S/C13H6BrN3O6S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)24(15)23/h1-6H
InChIKey TVVHTMSAEPKSAN-UHFFFAOYSA-N
Mol Weight 412.17 g/mol
Molecular Formula C13H6BrN3O6S
Exact Mass 410.916069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YqKh3HNv6z
Name 2-(4-bromophenyl)-1-keto-4,6-dinitro-1,2-benzothiazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6BrN3O6S
InChI InChI=1S/C13H6BrN3O6S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)24(15)23/h1-6H
InChIKey TVVHTMSAEPKSAN-UHFFFAOYSA-N
Molecular Weight 412.170 g/mol
SMILES C1(N(S(c2c1c(cc(c2)N(=O)=O)N(=O)=O)=O)c1ccc(cc1)Br)=O
SPLASH splash10-0006-9031200000-0111622bd58071461b19
Source of Spectrum SO-0-1663-5
Synonyms 2-(4-bromophenyl)-4,6-dinitro-1-oxidanylidene-1,2-benzothiazol-3-one 2-(4-bromophenyl)-4,6-dinitro-1-oxo-1,2-benzothiazol-3-one
Wiley ID 878624