| SpectraBase Spectrum ID |
2QhCO5TIg7b |
| Name |
1-Benzoyl-2,5-dihydro-1H-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.115364106 u |
| Formula |
C17H15NO |
| InChI |
InChI=1S/C17H15NO/c19-17(15-10-2-1-3-11-15)18-13-7-6-9-14-8-4-5-12-16(14)18/h1-8,10-12H,9,13H2 |
| InChIKey |
RCLLFYPFRIXYGU-UHFFFAOYSA-N |
| Molecular Weight |
249.313 g/mol |
| SMILES |
C1N(C=2C(CC=C1)=CC=CC2)C(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901594 |
