| SpectraBase Spectrum ID |
4txrPBhAlPW |
| Name |
4-(4-Fluorophenyl)-2,6-dimethyl-3,5-bis-N-(2-methylphenyl)-carbamoyl-1,4-dihydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.216555315 u |
| Formula |
C29H28FN3O2 |
| InChI |
InChI=1S/C29H28FN3O2/c1-17-9-5-7-11-23(17)32-28(34)25-19(3)31-20(4)26(27(25)21-13-15-22(30)16-14-21)29(35)33-24-12-8-6-10-18(24)2/h5-16,27,31H,1-4H3,(H,32,34)(H,33,35) |
| InChIKey |
FILJDBDWVTUEKM-UHFFFAOYSA-N |
| Molecular Weight |
469.560 g/mol |
| SMILES |
C=1(C(C(C(NC=2C(C)=CC=CC2)=O)=C(NC1C)C)C=1C=CC(=CC1)F)C(NC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818622 |
