| SpectraBase Spectrum ID |
2iv9YZJEOtw |
| Name |
ATHPINACA isomer 1 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
18365 |
| Lot Number |
0492127-1 |
| Accessory |
DurasamplIR II |
| Acronyms |
AD-THPINACA; Adamanthyl-THPINACA |
| CAS Registry Number |
1400742-48-4 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31N3O2 |
| IUPAC Name |
1-[(Tetrahydro-2H-pyran-4-yl)methyl]-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide |
| InChI |
InChI=1S/C24H31N3O2/c28-23(25-24-12-17-9-18(13-24)11-19(10-17)14-24)22-20-3-1-2-4-21(20)27(26-22)15-16-5-7-29-8-6-16/h1-4,16-19H,5-15H2,(H,25,28)/t17-,18+,19-,24- |
| InChIKey |
WFDRVDUEMGJILX-PCFUMONKSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
N(C(=O)c1c2c([n](n1)CC1CCOCC1)cccc2)[C@]12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
ATR-Neat |
