![1-Methyl-9-(2'-bromoallyloxy)naphtho[2,1-b]pyran-3-one](/api/spectrum/5H1fJ5e75gN/structure.png?h=300&w=458 "1-Methyl-9-(2'-bromoallyloxy)naphtho[2,1-b]pyran-3-one")
| SpectraBase Compound ID | 306nt6bYfeu |
|---|---|
| InChI | InChI=1S/C17H13BrO3/c1-10-7-16(19)21-15-6-4-12-3-5-13(20-9-11(2)18)8-14(12)17(10)15/h3-8H,2,9H2,1H3 |
| InChIKey | PPUZAXQBPVNKOX-UHFFFAOYSA-N |
| Mol Weight | 345.19 g/mol |
| Molecular Formula | C17H13BrO3 |
| Exact Mass | 344.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5H1fJ5e75gN |
|---|---|
| Name | 1-Methyl-9-(2'-bromoallyloxy)naphtho[2,1-B]pyran-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.004807276 u |
| Formula | C17H13BrO3 |
| InChI | InChI=1S/C17H13BrO3/c1-10-7-16(19)21-15-6-4-12-3-5-13(20-9-11(2)18)8-14(12)17(10)15/h3-8H,2,9H2,1H3 |
| InChIKey | PPUZAXQBPVNKOX-UHFFFAOYSA-N |
| Molecular Weight | 345.192 g/mol |
| SMILES | C=1(C=2C(=CC=C3C2C=C(OCC(=C)Br)C=C3)OC(C1)=O)C |