| SpectraBase Compound ID | 1rXoRDEJ3uP |
|---|---|
| InChI | InChI=1S/C16H15BrO2/c17-15-10-4-9-14(12-15)16(18)19-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2 |
| InChIKey | AENZVRWGAZFLLA-UHFFFAOYSA-N |
| Mol Weight | 319.2 g/mol |
| Molecular Formula | C16H15BrO2 |
| Exact Mass | 318.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ILv9jLMVkB |
|---|---|
| Name | 3-Bromobenzoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.025542721 u |
| Formula | C16H15BrO2 |
| InChI | InChI=1S/C16H15BrO2/c17-15-10-4-9-14(12-15)16(18)19-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2 |
| InChIKey | AENZVRWGAZFLLA-UHFFFAOYSA-N |
| Molecular Weight | 319.198 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C=1C=CC=C(C1)Br)=O |