| SpectraBase Compound ID | FZBVp4hRJeJ |
|---|---|
| InChI | InChI=1S/C14H10ClN/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)16-14/h1-9,16H |
| InChIKey | QPRQZWBSIQIICW-UHFFFAOYSA-N |
| Mol Weight | 227.69 g/mol |
| Molecular Formula | C14H10ClN |
| Exact Mass | 227.050177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AaWaC9HQyvP |
|---|---|
| Name | 2-Chloro-5H-dibenz-[B,F]-azepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.050177026 u |
| Formula | C14H10ClN |
| InChI | InChI=1S/C14H10ClN/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)16-14/h1-9,16H |
| InChIKey | QPRQZWBSIQIICW-UHFFFAOYSA-N |
| Molecular Weight | 227.694 g/mol |
| SMILES | C1=2NC3=C(C=CC2C=C(Cl)C=C1)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880519 |