| SpectraBase Spectrum ID |
9iu7MhB9zUe |
| Name |
1-(2'-Aminophenyl)-4-(3',4'-dichlorophenyl)-2,6-diphenyl-1,4-dihydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.116004116 u |
| Formula |
C29H22Cl2N2 |
| InChI |
InChI=1S/C29H22Cl2N2/c30-24-16-15-22(17-25(24)31)23-18-28(20-9-3-1-4-10-20)33(27-14-8-7-13-26(27)32)29(19-23)21-11-5-2-6-12-21/h1-19,23H,32H2 |
| InChIKey |
NBTCVTMUAGYGHC-UHFFFAOYSA-N |
| Molecular Weight |
469.415 g/mol |
| SMILES |
C=1(N(C(=CC(C1)C=1C=C(Cl)C(=CC1)Cl)C=1C=CC=CC1)C=1C(N)=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88446 |
