| SpectraBase Spectrum ID |
K1ajYtNS21r |
| Name |
1-[4-(4-Nitrophenyl)but-3-ynyl]-4-phenyl-3,6-dihydro-2H-pyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.152477890 u |
| Formula |
C21H20N2O2 |
| InChI |
InChI=1S/C21H20N2O2/c24-23(25)21-11-9-18(10-12-21)6-4-5-15-22-16-13-20(14-17-22)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17H2 |
| InChIKey |
LHPDTJITOXBFTO-UHFFFAOYSA-N |
| Molecular Weight |
332.403 g/mol |
| SMILES |
C1CC(=CCN1CCC#CC=1C=CC(=CC1)N(=O)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947231 |
![1-[4-(4-nitrophenyl)but-3-ynyl]-4-phenyl-3,6-dihydro-2H-pyridine](/api/spectrum/K1ajYtNS21r/structure.png?h=300&w=458 "1-[4-(4-nitrophenyl)but-3-ynyl]-4-phenyl-3,6-dihydro-2H-pyridine")
