| SpectraBase Spectrum ID |
AdpBNi98bgW |
| Name |
8-Azabicyclo[4.3]non-3-ene, 8-benzoylamino-2,5-diphenyl-7,9-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.163042573 u |
| Formula |
C27H22N2O3 |
| InChI |
InChI=1S/C27H22N2O3/c30-25(20-14-8-3-9-15-20)28-29-26(31)23-21(18-10-4-1-5-11-18)16-17-22(24(23)27(29)32)19-12-6-2-7-13-19/h1-17,21-24H,(H,28,30) |
| InChIKey |
SFBZTOORZNQQMW-UHFFFAOYSA-N |
| Molecular Weight |
422.484 g/mol |
| SMILES |
C1=CC(C2C(C1C1=CC=CC=C1)C(N(C2=O)NC(C1=CC=CC=C1)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961385 |
![8-Azabicyclo[4.3]non-3-ene, 8-benzoylamino-2,5-diphenyl-7,9-dioxo-](/api/spectrum/AdpBNi98bgW/structure.png?h=300&w=458 "8-Azabicyclo[4.3]non-3-ene, 8-benzoylamino-2,5-diphenyl-7,9-dioxo-")
