| SpectraBase Spectrum ID |
4UTJrvxKvLR |
| Name |
3-((2-amino-2-oxoethyl)thio)-1,4,5-trimethyl-1H-1,2,4-triazol-4-ium benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18N4O3S |
| InChI |
InChI=1S/C7H12N4OS.C7H6O2/c1-5-10(2)7(9-11(5)3)13-4-6(8)12;8-7(9)6-4-2-1-3-5-6/h4H2,1-3H3,(H-,8,12);1-5H,(H,8,9) |
| InChIKey |
AIPDOBPYVFMCNN-UHFFFAOYSA-N |
| Molecular Weight |
322.383 g/mol |
| SMILES |
C([O-])(=O)c1ccccc1.NC(CSc1[n+](c(C)[n](n1)C)C)=O |
| SPLASH |
splash10-052f-9600000000-f6bc7dcfcf986ce2227f |
| Source of Spectrum |
JX-2015-3-312 |
| Wiley ID |
1723887 |
