| SpectraBase Spectrum ID |
6lsAGG9e687 |
| Name |
(Z)-4-Benzylidene-1-(4-nitrophenyl)-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 |
C16H12N2O4S |
| InChI |
InChI=1S/C16H12N2O4S/c19-16-13(10-12-4-2-1-3-5-12)11-23(22,17-16)15-8-6-14(7-9-15)18(20)21/h1-10H,11H2/b13-10+ |
| InChIKey |
KMHZDTNFQHKWDQ-JLHYYAGUSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c03041 |
| Molecular Weight |
328.342 g/mol |
| Reported Formula |
C16H12N2O4S |
| SMILES |
C1S(=NC(\C1=C/c1ccccc1)=O)(c1ccc(cc1)[N+]([O-])=O)=O |
| SPLASH |
splash10-014i-0902000000-5f72ea0e379adaccc402 |
| Source of Spectrum |
A1-23-SM11-2f |
| Wiley ID |
1868111 |
