| SpectraBase Spectrum ID |
9un6RyRVuIJ |
| Name |
1-Butyl-N,N-diisopropyl-2-methyl-6-oxo-5-(2-oxo-2-((4-phenylbutyl)amino)ethyl)-1,4,5,6-tetrahydropyridine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.346092318 u |
| Formula |
C29H45N3O3 |
| InChI |
InChI=1S/C29H45N3O3/c1-7-8-18-31-23(6)26(29(35)32(21(2)3)22(4)5)19-25(28(31)34)20-27(33)30-17-13-12-16-24-14-10-9-11-15-24/h9-11,14-15,21-22,25H,7-8,12-13,16-20H2,1-6H3,(H,30,33) |
| InChIKey |
JMUFFRZXCVZQGF-UHFFFAOYSA-N |
| Molecular Weight |
483.697 g/mol |
| SMILES |
CCCCN1C(=C(CC(C1=O)CC(=O)NCCCCC1=CC=CC=C1)C(=O)N(C(C)C)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916343 |
