![2-[2-(2-Bromophenyl)-2-keto-ethyl]benzoic acid methyl ester](/api/spectrum/3zWMfYcrRXN/structure.png?h=300&w=458 "2-[2-(2-Bromophenyl)-2-keto-ethyl]benzoic acid methyl ester")
| SpectraBase Compound ID | GZcc9bXosFh |
|---|---|
| InChI | InChI=1S/C16H13BrO3/c1-20-16(19)12-7-3-2-6-11(12)10-15(18)13-8-4-5-9-14(13)17/h2-9H,10H2,1H3 |
| InChIKey | MBESIIIQIYHHHA-UHFFFAOYSA-N |
| Mol Weight | 333.18 g/mol |
| Molecular Formula | C16H13BrO3 |
| Exact Mass | 332.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zWMfYcrRXN |
|---|---|
| Name | 2-[2-(2-Bromophenyl)-2-keto-ethyl]benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.004807276 u |
| Formula | C16H13BrO3 |
| InChI | InChI=1S/C16H13BrO3/c1-20-16(19)12-7-3-2-6-11(12)10-15(18)13-8-4-5-9-14(13)17/h2-9H,10H2,1H3 |
| InChIKey | MBESIIIQIYHHHA-UHFFFAOYSA-N |
| Molecular Weight | 333.181 g/mol |
| SMILES | C(C=1C(=CC=CC1)CC(C=1C(=CC=CC1)Br)=O)(=O)OC |