| SpectraBase Spectrum ID |
GBknSn50jRc |
| Name |
(Z)-4-Benzylidene-1-(pyridin-2-yl)-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 |
C15H12N2O2S |
| InChI |
InChI=1S/C15H12N2O2S/c18-15-13(10-12-6-2-1-3-7-12)11-20(19,17-15)14-8-4-5-9-16-14/h1-10H,11H2/b13-10+ |
| InChIKey |
WOUGHSNIWYFQKS-JLHYYAGUSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c03041 |
| Molecular Weight |
284.333 g/mol |
| Reported Formula |
C15H12N2O2S |
| SMILES |
C1S(=NC(\C1=C/c1ccccc1)=O)(c1ncccc1)=O |
| SPLASH |
splash10-0159-0950000000-563746e906e4bc0131e0 |
| Source of Spectrum |
A1-23-SM15-2p |
| Wiley ID |
1868120 |
