| SpectraBase Compound ID | D1kwKhsySXb |
|---|---|
| InChI | InChI=1S/C16H13BrO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+ |
| InChIKey | VCSPTPADAQXEJK-RMKNXTFCSA-N |
| Mol Weight | 317.18 g/mol |
| Molecular Formula | C16H13BrO2 |
| Exact Mass | 316.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UUwMVaxlGl |
|---|---|
| Name | 2-Bromobenzoic acid, 3-phenyl-2-propenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.009892657 u |
| Formula | C16H13BrO2 |
| InChI | InChI=1S/C16H13BrO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+ |
| InChIKey | VCSPTPADAQXEJK-RMKNXTFCSA-N |
| Molecular Weight | 317.182 g/mol |
| SMILES | C1(=CC=CC=C1)\C=C\COC(C1=CC=CC=C1Br)=O |