| SpectraBase Spectrum ID |
39WBVrX77no |
| Name |
5-Benzoylamino-4-methallyl-2-methyl-3-methylmercapto-1,2,4-triazolium tetrafluoromethanesulfonate |
| Alternate Name(s) |
3-(benzoylamino)-1-methyl-4-(2-methyl-2-propenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-1-ium trifluoromethanesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19F3N4O4S2 |
| InChI |
InChI=1S/C15H18N4OS.CHF3O3S/c1-11(2)10-19-14(17-18(3)15(19)21-4)16-13(20)12-8-6-5-7-9-12;2-1(3,4)8(5,6)7/h5-9H,1,10H2,2-4H3;(H,5,6,7) |
| InChIKey |
FMPQFIIPFYLVRR-UHFFFAOYSA-N |
| Molecular Weight |
452.467 g/mol |
| SMILES |
C(S([O-])(=O)=O)(F)(F)F.N(c1[n](c([n+](C)n1)SC)CC(=C)C)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a6r-6921000000-a1e74dae1eb5994e9b86 |
| Source of Spectrum |
F-52-796-4 |
| Wiley ID |
794754 |
