| SpectraBase Spectrum ID |
12dvDScdNcZ |
| Name |
trans-alpha-{{5-[2-(p-CHLOROANILINO)VINYL]-4-CYANO-3-ISOTHIAZOLYL}THIO}-o-TOLUIC ACID, METHYL ESTER |
| Source of Sample |
Bionet Research Ltd., Cornwall, England |
| Copyright |
Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16ClN3O2S2 |
| InChI |
InChI=1S/C21H16ClN3O2S2/c1-27-21(26)17-5-3-2-4-14(17)13-28-20-18(12-23)19(29-25-20)10-11-24-16-8-6-15(22)7-9-16/h2-11,24H,13H2,1H3/b11-10+ |
| InChIKey |
YSOVOWPNXDXPKE-ZHACJKMWSA-N |
| Instrument Name |
BRUKER AC-300 |
| Melting Point |
190-192C |
| Molecular Weight |
441.96 |
| Solvent |
DMSO-d6; Reference=TMS; Temperature 297K |
![trans-alpha-{{5-[2-(p-CHLOROANILINO)VINYL]-4-CYANO-3-ISOTHIAZOLYL}THIO}-o-TOLUIC ACID, METHYL ESTER](/api/spectrum/12dvDScdNcZ/structure.png?h=300&w=458 "trans-alpha-{{5-[2-(p-CHLOROANILINO)VINYL]-4-CYANO-3-ISOTHIAZOLYL}THIO}-o-TOLUIC ACID, METHYL ESTER")
