| SpectraBase Spectrum ID |
F2ifthxyVYD |
| Name |
1-(4-methylphenyl)sulfonyl-4-(2-phenylethynyl)pyrazole |
| Alternate Name(s) |
4-(2-phenylethynyl)-1-(p-tolylsulfonyl)pyrazole
4-(2-phenylethynyl)-1-tosyl-pyrazole |
| CAS Registry Number |
116228-45-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14N2O2S |
| InChI |
InChI=1S/C18H14N2O2S/c1-15-7-11-18(12-8-15)23(21,22)20-14-17(13-19-20)10-9-16-5-3-2-4-6-16/h2-8,11-14H,1H3 |
| InChIKey |
WOYJGHWCPONQAB-UHFFFAOYSA-N |
| Molecular Weight |
322.382 g/mol |
| SMILES |
c1n[n](S(c2ccc(cc2)C)(=O)=O)cc1C#Cc1ccccc1 |
| SPLASH |
splash10-0006-9004000000-7b6bc58dab5a77b312c7 |
| Source of Spectrum |
AH-119-260-4 |
| Wiley ID |
1321647 |
