| SpectraBase Spectrum ID |
6iuoZG1Aq8P |
| Name |
4,5-Dibenzamido-1-benzoyl-6-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
531.215806422 u |
| Formula |
C33H29N3O4 |
| InChI |
InChI=1S/C33H29N3O4/c1-40-27-19-17-23(18-20-27)30-29(35-32(38)25-13-7-3-8-14-25)28(34-31(37)24-11-5-2-6-12-24)21-22-36(30)33(39)26-15-9-4-10-16-26/h2-20,30H,21-22H2,1H3,(H,34,37)(H,35,38) |
| InChIKey |
VYDXNIRNLSZFBY-UHFFFAOYSA-N |
| Molecular Weight |
531.612 g/mol |
| SMILES |
C=1(C(N(C(=O)C2=CC=CC=C2)CCC1NC(=O)C=1C=CC=CC1)C1=CC=C(C=C1)OC)NC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855951 |
