| SpectraBase Compound ID | 58s2QYnMBT6 |
|---|---|
| InChI | InChI=1S/C10H9BrO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h5H,1-4H2 |
| InChIKey | UWZHJPVZCPBSAT-UHFFFAOYSA-N |
| Mol Weight | 241.08 g/mol |
| Molecular Formula | C10H9BrO2 |
| Exact Mass | 239.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Az96lX3LAkt |
|---|---|
| Name | 2-Bromo-5,6,7,8-tetrahydro-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.978592528 u |
| Formula | C10H9BrO2 |
| InChI | InChI=1S/C10H9BrO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h5H,1-4H2 |
| InChIKey | UWZHJPVZCPBSAT-UHFFFAOYSA-N |
| Molecular Weight | 241.084 g/mol |
| SMILES | C12=C(C(=O)C=C(C2=O)Br)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958504 |