| SpectraBase Compound ID | jt6E8f9UQb |
|---|---|
| InChI | InChI=1S/C16H15BrO2/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | JYRDOSVDKSPDII-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 | 4OOOCpUDwoU |
|---|---|
| Name | 4-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/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | JYRDOSVDKSPDII-UHFFFAOYSA-N |
| Molecular Weight | 319.198 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C1=CC=C(C=C1)Br)=O |