| SpectraBase Compound ID | 8AVSigb9aeB |
|---|---|
| InChI | InChI=1S/C12H16N2O/c15-12(11-5-2-1-3-6-11)14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-10H2 |
| InChIKey | OXDBLZCQNCJHHX-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C12H16N2O |
| Exact Mass | 204.126263 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7t56diW08kE |
|---|---|
| Name | 1-Benzoyl-1,4-diazepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.126263142 u |
| Formula | C12H16N2O |
| InChI | InChI=1S/C12H16N2O/c15-12(11-5-2-1-3-6-11)14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-10H2 |
| InChIKey | OXDBLZCQNCJHHX-UHFFFAOYSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | C(N1CCNCCC1)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955846 |