| SpectraBase Spectrum ID |
F1AeXxrAGvP |
| Name |
4-Cyano CUMYL-BUT7AICA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22818 |
| Lot Number |
0525717-2 |
| Apodization Function |
Triangular |
| CAS Registry Number |
2160555-53-1 |
| 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 |
C22H24N4O |
| 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-(4-Cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
| InChI |
InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27) |
| InChIKey |
DYPZVGXELGJCHD-UHFFFAOYSA-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 |
360.461 g/mol |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
4CN-CUMYL-B7AICA; 4CN-CUMYL-BUT7AICA; CUMYL-4CN-B7AICA |
| Technique |
Vapor Phase |
