![7-Bromo-8-hydroxy-9-oxo-1-azabicylo[4.3.0]non-7-ene](/api/spectrum/BZaTPjTKA8c/structure.png?h=300&w=458 "7-Bromo-8-hydroxy-9-oxo-1-azabicylo[4.3.0]non-7-ene")
| SpectraBase Compound ID | 4YghWhvOTTu |
|---|---|
| InChI | InChI=1S/C8H10BrNO2/c9-6-5-3-1-2-4-10(5)8(12)7(6)11/h5,11H,1-4H2 |
| InChIKey | HOGYNSYJTKUILJ-UHFFFAOYSA-N |
| Mol Weight | 232.08 g/mol |
| Molecular Formula | C8H10BrNO2 |
| Exact Mass | 230.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BZaTPjTKA8c |
|---|---|
| Name | 7-Bromo-8-hydroxy-9-oxo-1-azabicylo[4.3.0]non-7-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.989491564 u |
| Formula | C8H10BrNO2 |
| InChI | InChI=1S/C8H10BrNO2/c9-6-5-3-1-2-4-10(5)8(12)7(6)11/h5,11H,1-4H2 |
| InChIKey | HOGYNSYJTKUILJ-UHFFFAOYSA-N |
| Molecular Weight | 232.077 g/mol |
| SMILES | C=1(C(N2CCCCC2C1Br)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836512 |