| SpectraBase Spectrum ID |
E9QJtGncKK8 |
| Name |
2-((4-Amino-6-benzyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetonitrile |
| Appearance |
Brown powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11N5OS |
| InChI |
InChI=1S/C12H11N5OS/c13-6-7-19-12-16-15-10(11(18)17(12)14)8-9-4-2-1-3-5-9/h1-5H,7-8,14H2 |
| InChIKey |
UHQZMBWPEVGLOU-UHFFFAOYSA-N |
| Instrument Name |
Varian MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3401 |
| Molecular Weight |
273.314 g/mol |
| SMILES |
NN1C(C(=NN=C1SCC#N)Cc1ccccc1)=O |
| SPLASH |
splash10-014i-3900000000-0856a7b49a2d69f41d65 |
| Source of Spectrum |
Y-56-246-8 |
| Thin-Layer Chromatography |
Rf = 0.20 [pet. ether (60:80)/ethyl acetate (4:1)] |
| Wiley ID |
1859314 |
