| SpectraBase Spectrum ID |
Aspou8kW3lR |
| Name |
1-Benzoyl-2,3,4,5-tetrahydro-1H-1-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.131014170 u |
| Formula |
C17H17NO |
| InChI |
InChI=1S/C17H17NO/c19-17(15-10-2-1-3-11-15)18-13-7-6-9-14-8-4-5-12-16(14)18/h1-5,8,10-12H,6-7,9,13H2 |
| InChIKey |
YARDNKGMIXSZGX-UHFFFAOYSA-N |
| Molecular Weight |
251.329 g/mol |
| SMILES |
C1N(C2=CC=CC=C2CCC1)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878403 |
