| SpectraBase Spectrum ID |
LEXG48aCY2b |
| Name |
3-(4-Chlorophenyl)-2-(4-oxo-4,5-dihydrothiazol-2-yl)but-2-enenitrile |
| Appearance |
Dark brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9ClN2OS |
| InChI |
InChI=1S/C13H9ClN2OS/c1-8(9-2-4-10(14)5-3-9)11(6-15)13-16-12(17)7-18-13/h2-5H,7H2,1H3 |
| InChIKey |
FZAFUXJHBFLXNW-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard 5988 A or Shimadzu QP 1000 Ex |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3870 |
| Molecular Weight |
276.741 g/mol |
| SMILES |
c1(Cl)ccc(cc1)C(=C(C#N)C=1SCC(N1)=O)C |
| SPLASH |
splash10-0006-0900000000-92cfed1124c234bf8346 |
| Source of Spectrum |
Y-57-1337-2b |
| Wiley ID |
1860084 |
