| SpectraBase Spectrum ID |
mWka9WfZK8 |
| Name |
4-Fluoro ABUTINACA N-(4-hydroxybutyl) metabolite |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
30750 |
| Lot Number |
0594670-3 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Norton-Beer, medium |
| Copyright |
Copyright © 2019-2024 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 |
| Instrument Name |
Bio-Rad FTS |
| Purity |
>=98% |
| SMILES |
N(C(c1n[n](CCCCO)c2ccccc12)=O)C12CC3CC(C2)CC(C3)C1 |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
ATR-Neat |
