| SpectraBase Compound ID | J3vfSMotRHj |
|---|---|
| InChI | InChI=1S/C10H5BrO4/c11-6-3-7(13)5-1-4(12)2-8(14)9(5)10(6)15/h1-3,12,14H |
| InChIKey | DYWSUXBDPFYTTC-UHFFFAOYSA-N |
| Mol Weight | 269.05 g/mol |
| Molecular Formula | C10H5BrO4 |
| Exact Mass | 267.937122 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8tjuPV5Oah0 |
|---|---|
| Name | 3-Bromo-5,7-dihydroxy-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.937121637 u |
| Formula | C10H5BrO4 |
| InChI | InChI=1S/C10H5BrO4/c11-6-3-7(13)5-1-4(12)2-8(14)9(5)10(6)15/h1-3,12,14H |
| InChIKey | DYWSUXBDPFYTTC-UHFFFAOYSA-N |
| SMILES | C12=C(C(=O)C=C(C2=O)Br)C=C(C=C1O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944259 |