| SpectraBase Spectrum ID |
2fwTqwIdC6s |
| Name |
(Z)-4-Benzylidene-5,5-dimethyl-1-phenyl-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 |
C18H17NO2S |
| InChI |
InChI=1S/C18H17NO2S/c1-18(2)16(13-14-9-5-3-6-10-14)17(20)19-22(18,21)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13- |
| InChIKey |
NGRKGGDGKODWQD-SSZFMOIBSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c03041 |
| Molecular Weight |
311.399 g/mol |
| Reported Formula |
C18H17NO2S |
| SMILES |
C1(S(=NC(\C1=C/c1ccccc1)=O)(c1ccccc1)=O)(C)C |
| SPLASH |
splash10-004r-0901000000-7cc1af8e1e860258f148 |
| Source of Spectrum |
A1-23-SM21-2aa |
| Wiley ID |
1868107 |
