| SpectraBase Spectrum ID |
6lwmZ78yNco |
| Name |
AB-PINACA pentanoic acid metabolite |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
15051 |
| Lot Number |
047682-8 |
| CAS Registry Number |
1879029-93-2 |
| Classification |
expected compound produced by phase I metabolism of AB-PINACA in vivo |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24N4O4 |
| InChI |
InChI=1S/C18H24N4O4/c1-11(2)15(17(19)25)20-18(26)16-12-7-3-4-8-13(12)22(21-16)10-6-5-9-14(23)24/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H2,19,25)(H,20,26)(H,23,24) |
| InChIKey |
QNEBIXFSJOHXCK-UHFFFAOYSA-N |
| Molecular Weight |
360.414 g/mol |
| Raman Corrections |
Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source |
Nd:YAG |
| Sample Description |
solid |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
3-[[[1-(Aminocarbonyl)-2-methylpropyl]amino]carbonyl]-1H-indazole-1-pentanoic acid​ |
| Technique |
FT-Raman |
