| SpectraBase Spectrum ID |
3iPzTPHbQAu |
| Name |
3-(4-Bromo-phenyl)-4-formyl-5-methylsulfanyl-thiophene-2-carbonitrile |
| CAS Registry Number |
138696-59-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H8BrNOS2 |
| InChI |
InChI=1S/C13H8BrNOS2/c1-17-13-10(7-16)12(11(6-15)18-13)8-2-4-9(14)5-3-8/h2-5,7H,1H3 |
| InChIKey |
LPLWTHFTSNPLAX-UHFFFAOYSA-N |
| Molecular Weight |
338.237 g/mol |
| SMILES |
c1(c(sc(c1-c1ccc(cc1)Br)C#N)SC)C=O |
| SPLASH |
splash10-002r-0059000000-dcd7adf14e155b19c862 |
| Source of Spectrum |
U-1992-391-5 |
| Synonyms |
3-(4'-Bromophenyl)-4-formyl-3-(methylthio)-2-thiophenecarbonitrile
3-(4-bromophenyl)-4-formyl-5-(methylsulfanyl)-2-thiophenecarbonitrile |
| Wiley ID |
764209 |
