| SpectraBase Spectrum ID |
1xwfVTcWhjj |
| Name |
(Z)-1-Phenyl-4-[4-(trifluoromethyl)benzylidene]-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 |
C17H12F3NO2S |
| InChI |
InChI=1S/C17H12F3NO2S/c18-17(19,20)14-8-6-12(7-9-14)10-13-11-24(23,21-16(13)22)15-4-2-1-3-5-15/h1-10H,11H2/b13-10+ |
| InChIKey |
JFDRBEMYNZPOCU-JLHYYAGUSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c03041 |
| Molecular Weight |
351.343 g/mol |
| Reported Formula |
C17H12NO2SF3 |
| SMILES |
C1S(=NC(\C1=C/c1ccc(cc1)C(F)(F)F)=O)(c1ccccc1)=O |
| SPLASH |
splash10-0a4i-9500000000-f43e43ce69a323db452a |
| Source of Spectrum |
A1-23-SM19-2v |
| Wiley ID |
1868125 |
![(Z)-1-Phenyl-4-[4-(trifluoromethyl)benzylidene]-4,5-dihydro-3H-1.lambda.6-isothiazol-3-one-1-oxide](/api/spectrum/1xwfVTcWhjj/structure.png?h=300&w=458 "(Z)-1-Phenyl-4-[4-(trifluoromethyl)benzylidene]-4,5-dihydro-3H-1.lambda.6-isothiazol-3-one-1-oxide")
