| SpectraBase Spectrum ID |
5lmlEzkaiwA |
| Name |
(Z)-4-[(1-Oxido-3-oxo-1-phenyl-3,5-dihydro-4H-1.lambda.6-isothiazol-4-ylidene)methyl]-benzonitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12N2O2S |
| InChI |
InChI=1S/C17H12N2O2S/c18-11-14-8-6-13(7-9-14)10-15-12-22(21,19-17(15)20)16-4-2-1-3-5-16/h1-10H,12H2/b15-10+ |
| InChIKey |
FMFIURZEJCOYKH-XNTDXEJSSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c03041 |
| Molecular Weight |
308.355 g/mol |
| Reported Formula |
C17H12N2O2S |
| SMILES |
C1S(=NC(\C1=C/c1ccc(cc1)C#N)=O)(c1ccccc1)=O |
| SPLASH |
splash10-052f-0902000000-eceac495f7f996294df1 |
| Source of Spectrum |
A1-23-SM18-2u |
| Wiley ID |
1868124 |
![(Z)-4-[(1-Oxido-3-oxo-1-phenyl-3,5-dihydro-4H-1.lambda.6-isothiazol-4-ylidene)methyl]-benzonitrile](/api/spectrum/5lmlEzkaiwA/structure.png?h=300&w=458 "(Z)-4-[(1-Oxido-3-oxo-1-phenyl-3,5-dihydro-4H-1.lambda.6-isothiazol-4-ylidene)methyl]-benzonitrile")
