| SpectraBase Spectrum ID |
C5q6KRRzgnk |
| Name |
ADB-PINACA isomer 3 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
9001527 |
| Lot Number |
0456164-3 |
| Apodization Function |
Triangular |
| 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 |
C19H28N4O2 |
| 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 |
(S)-N-(1-Amino-1-oxohexan-2-yl)-1-pentyl-1H-indazole-3-carboxamide |
| InChI |
InChI=1S/C19H28N4O2/c1-3-5-9-13-23-16-12-8-7-10-14(16)17(22-23)19(25)21-15(18(20)24)11-6-4-2/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H2,20,24)(H,21,25)/t15-/m0/s1 |
| InChIKey |
BIAATZFCIKCULE-HNNXBMFYSA-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 |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
Vapor Phase |
| UV - Neutral Conditions |
UVmax (nm): 209, 302 |
