![5-Phenethyl-5H-dibenzo[b,e]azepine-6,11-dione](/api/spectrum/GnSjtdXbWDk/structure.png?h=300&w=458 "5-Phenethyl-5H-dibenzo[b,e]azepine-6,11-dione")
| SpectraBase Compound ID | 2GP0o9hvJrR |
|---|---|
| InChI | InChI=1S/C22H17NO2/c24-21-17-10-4-5-11-18(17)22(25)23(20-13-7-6-12-19(20)21)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2 |
| InChIKey | IDVBHISMTZWWOB-UHFFFAOYSA-N |
| Mol Weight | 327.38 g/mol |
| Molecular Formula | C22H17NO2 |
| Exact Mass | 327.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnSjtdXbWDk |
|---|---|
| Name | 5-Phenethyl-5H-dibenzo[B,E]azepine-6,11-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.125928789 u |
| Formula | C22H17NO2 |
| InChI | InChI=1S/C22H17NO2/c24-21-17-10-4-5-11-18(17)22(25)23(20-13-7-6-12-19(20)21)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2 |
| InChIKey | IDVBHISMTZWWOB-UHFFFAOYSA-N |
| Molecular Weight | 327.383 g/mol |
| SMILES | C=12N(C(C=3C(C(C2=CC=CC1)=O)=CC=CC3)=O)CCC=1C=CC=CC1 |