| SpectraBase Compound ID | 8GA0k8ojaeR |
|---|---|
| InChI | InChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H |
| InChIKey | MXWZRRPNVLCHMY-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 | KaJItgjnrPs |
|---|---|
| Name | 6-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/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H |
| InChIKey | MXWZRRPNVLCHMY-UHFFFAOYSA-N |
| Molecular Weight | 237.052 g/mol |
| SMILES | C1(C(C=CC=2C=C(C=CC12)Br)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914295 |