For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,2-benzisothiazol-3(2H)-one, 2-(4-bromophenyl)-6-nitro-, 1-oxide
SpectraBase Compound ID HhiJCYZF3S6
InChI InChI=1S/C13H7BrN2O4S/c14-8-1-3-9(4-2-8)15-13(17)11-6-5-10(16(18)19)7-12(11)21(15)20/h1-7H
InChIKey ZVQZCENUPFWVJM-UHFFFAOYSA-N
Mol Weight 367.17 g/mol
Molecular Formula C13H7BrN2O4S
Exact Mass 365.930991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CuQzZaVLxW3
Name 2-(4-bromophenyl)-1-keto-6-nitro-1,2-benzothiazol-3-one
Alternate Name(s) 2-(4-bromophenyl)-6-nitro-1-oxidanylidene-1,2-benzothiazol-3-one 2-(4-bromophenyl)-6-nitro-1-oxo-1,2-benzothiazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7BrN2O4S
InChI InChI=1S/C13H7BrN2O4S/c14-8-1-3-9(4-2-8)15-13(17)11-6-5-10(16(18)19)7-12(11)21(15)20/h1-7H
InChIKey ZVQZCENUPFWVJM-UHFFFAOYSA-N
Molecular Weight 367.173 g/mol
SMILES C1(N(S(c2c1ccc(c2)N(=O)=O)=O)c1ccc(cc1)Br)=O
SPLASH splash10-0gdi-3019000000-377ffc3392963543c40d
Source of Spectrum SO-0-1663-5
Wiley ID 878625