| SpectraBase Spectrum ID |
BqkVY9cEy5j |
| Name |
5-amino-3-(methylthio)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-1H-pyrazole-4-carboxamide |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H7Br4N5O3S |
| InChI |
InChI=1S/C13H7Br4N5O3S/c1-26-11-4(9(18)19-20-11)10(23)21-22-12(24)2-3(13(22)25)6(15)8(17)7(16)5(2)14/h1H3,(H,21,23)(H3,18,19,20) |
| InChIKey |
CZVPZEHNSWWYHB-UHFFFAOYSA-N |
| Instrument Name |
LCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3436 |
| Molecular Weight |
632.907 g/mol |
| SMILES |
N(N1C(c2c(c(c(c(c2C1=O)Br)Br)Br)Br)=O)C(c1c([nH]nc1SC)N)=O |
| SPLASH |
splash10-001i-9528111000-583286ae6a6ed03cb5bc |
| Source of Spectrum |
Y-56-SM7-15 |
| Wiley ID |
1859407 |
