SpectraBase Spectrum ID |
87fHa4BqIu |
Name |
2,8-Dibenzoyl-2,3,4,5,6,7,8,9-octahydro-5H-pyrrolo[3,2-C:4,5-C']dipyridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
385.179026991 u |
Formula |
C24H23N3O2 |
InChI |
InChI=1S/C24H23N3O2/c28-23(17-7-3-1-4-8-17)26-13-11-21-19(15-26)20-16-27(14-12-22(20)25-21)24(29)18-9-5-2-6-10-18/h1-10,15,21,25H,11-14,16H2 |
InChIKey |
ZWOKXJJMIUBDLN-UHFFFAOYSA-N |
Molecular Weight |
385.467 g/mol |
SMILES |
C=12C3=CN(C(=O)C=4C=CC=CC4)CCC3NC1CCN(C2)C(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868002 |