| SpectraBase Spectrum ID |
LsIw2bzzO38 |
| Name |
ATHPINACA isomer 1 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
18365 |
| Lot Number |
0492127-1 |
| Apodization Function |
Triangular |
| CAS Registry Number |
1400742-48-4 |
| Carrier Gas |
Nitrogen (1 mL/min) |
| Cell Type |
Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows |
| Copyright |
Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Detector |
MCT wideband |
| Formula |
C24H31N3O2 |
| GC Column |
Supelco SPB-1 (1.8 m x 0.32 mm ID x 0.25 µm film thickness) |
| GC Oven Program |
180 °C (0.30 min hold) - 285 °C (10 °C/min) and 5 min hold |
| 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 |
| Inlet Type |
Splitless |
| Instrument Name |
HP 5890 Series II / HP 5965B (GC/IRD) |
| Instrument Properties |
Gram-Schmidt vector orthogonalization
number of basis vectors: 8
number of basis coadditions: 5
vector offset: 60 points
vector length: 100 points |
| Interferogram Mode Name |
Symmetry |
| Molecular Weight |
393.531 g/mol |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Adamantyl-THPINACA; AD-THPINACA |
| Technique |
Vapor Phase |
| UV - Neutral Conditions |
UVmax (nm): 209, 302 |
