| SpectraBase Spectrum ID |
G8U7JnpbaQN |
| Name |
Topiroxostat |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
21267 |
| Lot Number |
0497864-1 |
| CAS Registry Number |
577778-58-6 |
| Cell Type |
Capillary tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H8N6 |
| IUPAC Name |
4-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile |
| InChI |
InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19) |
| InChIKey |
UBVZQGOVTLIHLH-UHFFFAOYSA-N |
| Molecular Weight |
248.249 g/mol |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
804 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
[nH]1c(nnc1-c1ccnc(C#N)c1)-c1ccncc1 |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
FYX-051 |
| Technique |
FT-Raman |
