| SpectraBase Spectrum ID |
LIMcHc7gCWp |
| Name |
3-Allylsulfanyl-4-amino-5-(1H-indol-2-yl)-1,2,4-triazole |
| Appearance |
Colorless shining crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13N5S |
| InChI |
InChI=1S/C13H13N5S/c1-2-7-19-13-17-16-12(18(13)14)11-8-9-5-3-4-6-10(9)15-11/h2-6,8,15H,1,7,14H2 |
| InChIKey |
PDRWSLQMOAUSAN-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT312, Jeol JMS.600H |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.p009.399 |
| Molecular Weight |
271.342 g/mol |
| Reported Formula |
C13H13N5S |
| SMILES |
N[n]1c(nnc1-c1[nH]c2c(c1)cccc2)SCC=C |
| SPLASH |
splash10-014i-0090000000-4008b75e47389244184d |
| Source of Spectrum |
ARK-2016-78-14 |
| Thin-Layer Chromatography |
Rf = 0.44 (EtOAc/n-hexane, 6:4) |
| Wiley ID |
1845672 |
