| SpectraBase Spectrum ID |
94V3hCf9dS |
| Name |
4-Fluoro ABUTINACA N-(4-hydroxybutyl) metabolite |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
30750 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29N3O2 |
| IUPAC Name |
N-((3s,5s,7s)-Adamantan-1-yl)-1-(4-hydroxybutyl)-1H-indazole-3-carboxamide |
| InChI |
InChI=1S/C22H29N3O2/c26-8-4-3-7-25-19-6-2-1-5-18(19)20(24-25)21(27)23-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-2,5-6,15-17,26H,3-4,7-14H2,(H,23,27)/t15-,16+,17-,22- |
| InChIKey |
WLOUHVWAVUYCFW-OMOYSXNNSA-N |
| Molecular Weight |
367.493 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(c1n[n](CCCCO)c2ccccc12)=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H] |
| Scans Performed |
1600 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
