| SpectraBase Compound ID | 207tUyM0Qd4 |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey | YFMWWCJIGYOSBM-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 | C6fuSjnYOju |
|---|---|
| Name | 4-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/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey | YFMWWCJIGYOSBM-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1(=CC=CC=C1)CCOC(C1=CC=C(C=C1)Br)=O |