| SpectraBase Spectrum ID |
5gf2UDSkRki |
| Name |
(Z)-4-Benzylidene-1-(3-bromophenyl)-4,5-dihydro-3H-1.lambda.6-isothiazol-3-one-1-oxide |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12BrNO2S |
| InChI |
InChI=1S/C16H12BrNO2S/c17-14-7-4-8-15(10-14)21(20)11-13(16(19)18-21)9-12-5-2-1-3-6-12/h1-10H,11H2/b13-9+ |
| InChIKey |
MPVAATIUCORHHQ-UKTHLTGXSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c03041 |
| Molecular Weight |
362.241 g/mol |
| Reported Formula |
C16H12NO2SBr |
| SMILES |
C1S(=NC(\C1=C/c1ccccc1)=O)(c1cc(ccc1)Br)=O |
| SPLASH |
splash10-03di-0409000000-06b2ea4ffffba2d1732c |
| Source of Spectrum |
A1-23-SM13-2k |
| Wiley ID |
1868115 |
