| SpectraBase Compound ID | LBQVSX6EM1H |
|---|---|
| InChI | InChI=1S/C13H9BrO3/c1-2-4-8-11(14)13(17)10-7(12(8)16)5-3-6-9(10)15/h2-3,5-6,15H,1,4H2 |
| InChIKey | LTYABIXPRYTDDG-UHFFFAOYSA-N |
| Mol Weight | 293.12 g/mol |
| Molecular Formula | C13H9BrO3 |
| Exact Mass | 291.973507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBkU6BEXxVX |
|---|---|
| Name | 2-Allyl-3-bromo-5-hydroxy-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.973507147 u |
| Formula | C13H9BrO3 |
| InChI | InChI=1S/C13H9BrO3/c1-2-4-8-11(14)13(17)10-7(12(8)16)5-3-6-9(10)15/h2-3,5-6,15H,1,4H2 |
| InChIKey | LTYABIXPRYTDDG-UHFFFAOYSA-N |
| Molecular Weight | 293.116 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2O)Br)CC=C |