| SpectraBase Compound ID | 39Hl6WsV3fy |
|---|---|
| InChI | InChI=1S/C18H15BrO4/c1-2-10-22-17-9-8-14(11-15(17)19)18(21)23-12-16(20)13-6-4-3-5-7-13/h2-9,11H,1,10,12H2 |
| InChIKey | JYYFNFPWHNCHSL-UHFFFAOYSA-N |
| Mol Weight | 375.22 g/mol |
| Molecular Formula | C18H15BrO4 |
| Exact Mass | 374.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4h08lJSuk3 |
|---|---|
| Name | Benzoic acid, 4-allyloxy-3-bromo-, (2-oxo-2-phenylethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.015371959 u |
| Formula | C18H15BrO4 |
| InChI | InChI=1S/C18H15BrO4/c1-2-10-22-17-9-8-14(11-15(17)19)18(21)23-12-16(20)13-6-4-3-5-7-13/h2-9,11H,1,10,12H2 |
| InChIKey | JYYFNFPWHNCHSL-UHFFFAOYSA-N |
| Molecular Weight | 375.218 g/mol |
| SMILES | C(C1=CC(Br)=C(C=C1)OCC=C)(OCC(=O)C1=CC=CC=C1)=O |