| SpectraBase Spectrum ID |
5ULGylomb2I |
| Name |
4-Cyano CUMYL-BUT7AICA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22818 |
| Lot Number |
0525717-2 |
| Acronyms |
4CN-CUMYL-B7AICA; 4CN-CUMYL-BUT7AICA; CUMYL-4CN-B7AICA |
| CAS Registry Number |
2160555-53-1 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24N4O |
| 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1501 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(c1c2cccnc2[n](c1)CCCCC#N)=O)C(C)(c1ccccc1)C |
| Scans Performed |
5120 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
