| SpectraBase Spectrum ID |
4y4YvUCcZE |
| Name |
3-Benzyl-7-(chloromethyl)-4H-[1,3,4]thiadiazolo[2,3-c] [1,2,4]triazin-4-one |
| Appearance |
Yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H9ClN4OS |
| InChI |
InChI=1S/C12H9ClN4OS/c13-7-10-16-17-11(18)9(14-15-12(17)19-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey |
CWUBPRCACAEVBW-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS equipment or Varian MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2718 |
| Molecular Weight |
292.744 g/mol |
| SMILES |
C=1(C(N2C(=NN1)SC(=N2)CCl)=O)Cc1ccccc1 |
| SPLASH |
splash10-0006-8290000000-79a146a7ec53dbd6ed55 |
| Source of Spectrum |
Y-54-1388-2 |
| Thin-Layer Chromatography |
Rf = 0.45 (pet. ether(60:80)/ethyl acetate, 4:1) |
| Wiley ID |
1878187 |
![3-Benzyl-7-(chloromethyl)-4H-[1,3,4]thiadiazolo[2,3-c] [1,2,4]triazin-4-one](/api/spectrum/4y4YvUCcZE/structure.png?h=300&w=458 "3-Benzyl-7-(chloromethyl)-4H-[1,3,4]thiadiazolo[2,3-c] [1,2,4]triazin-4-one")
