| SpectraBase Spectrum ID |
DGJt5c6ozaM |
| Name |
3-Benzylidene-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.126263142 u |
| Formula |
C22H16N2O |
| InChI |
InChI=1S/C22H16N2O/c25-22-20(15-16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-22/h1-15H,(H,24,25)/b20-15+ |
| InChIKey |
IYLMPELEEKTREW-HMMYKYKNSA-N |
| Molecular Weight |
324.383 g/mol |
| SMILES |
C12=C(C=CC=C2)NC(=O)\C(N=C1C1=CC=CC=C1)=C/C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944308 |
