| SpectraBase Compound ID | 749j5OMbMV7 |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11H,3-4,6H2 |
| InChIKey | HGCKDXTZHNPNKK-UHFFFAOYSA-N |
| Mol Weight | 228.09 g/mol |
| Molecular Formula | C9H10BrNO |
| Exact Mass | 226.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ja68YjDH3Dw |
|---|---|
| Name | 7-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.994576945 u |
| Formula | C9H10BrNO |
| InChI | InChI=1S/C9H10BrNO/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11H,3-4,6H2 |
| InChIKey | HGCKDXTZHNPNKK-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C12=C(C=C(C=C2)Br)CNCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980913 |