| SpectraBase Compound ID | HswAO6qeNiB |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey | LYTMBFKFJDTQTH-UHFFFAOYSA-N |
| Mol Weight | 305.17 g/mol |
| Molecular Formula | C15H13BrO2 |
| Exact Mass | 304.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3huvuR6vBor |
|---|---|
| Name | 2-Bromobenzoic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.009892657 u |
| Formula | C15H13BrO2 |
| InChI | InChI=1S/C15H13BrO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey | LYTMBFKFJDTQTH-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1(=CC=CC=C1)CCOC(C=1C(=CC=CC1)Br)=O |