| SpectraBase Compound ID | 74gDOCknCQ7 |
|---|---|
| InChI | InChI=1S/C10H5BrO2/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H |
| InChIKey | KPPMBYHVQXDBNS-UHFFFAOYSA-N |
| Mol Weight | 237.05 g/mol |
| Molecular Formula | C10H5BrO2 |
| Exact Mass | 235.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 182G5yInWzn |
|---|---|
| Name | 7-Bromo-1,2-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.947292399 u |
| Formula | C10H5BrO2 |
| InChI | InChI=1S/C10H5BrO2/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H |
| InChIKey | KPPMBYHVQXDBNS-UHFFFAOYSA-N |
| Molecular Weight | 237.052 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)Br)C=CC1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890373 |