![2-[2-(4-Bromophenyl)ethyl]benzoic acid](/api/spectrum/FjvTOriBPsj/structure.png?h=300&w=458 "2-[2-(4-Bromophenyl)ethyl]benzoic acid")
| SpectraBase Compound ID | JIPW3iK0rGP |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c16-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)15(17)18/h1-4,6-7,9-10H,5,8H2,(H,17,18) |
| InChIKey | IWJYTHFNMHRKKP-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 | FjvTOriBPsj |
|---|---|
| Name | 2-[2-(4-Bromophenyl)ethyl]benzoic acid |
| 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/c16-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)15(17)18/h1-4,6-7,9-10H,5,8H2,(H,17,18) |
| InChIKey | IWJYTHFNMHRKKP-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C(C=1C(CCC2=CC=C(C=C2)Br)=CC=CC1)(=O)O |