| SpectraBase Compound ID | HNONXctjo0O |
|---|---|
| InChI | InChI=1S/C15H15BrO3/c1-9(15(17)19-3)10-4-6-12-11(8-10)5-7-13(18-2)14(12)16/h4-9H,1-3H3 |
| InChIKey | ZPWMARGKEJEXNI-UHFFFAOYSA-N |
| Mol Weight | 323.19 g/mol |
| Molecular Formula | C15H15BrO3 |
| Exact Mass | 322.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrYlpyfKX3j |
|---|---|
| Name | 5-Bromonaproxen methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.020457340 u |
| Formula | C15H15BrO3 |
| InChI | InChI=1S/C15H15BrO3/c1-9(15(17)19-3)10-4-6-12-11(8-10)5-7-13(18-2)14(12)16/h4-9H,1-3H3 |
| InChIKey | ZPWMARGKEJEXNI-UHFFFAOYSA-N |
| Molecular Weight | 323.186 g/mol |
| SMILES | C1=C(C=C2C(=C1)C(=C(C=C2)OC)Br)C(C)C(OC)=O |