| SpectraBase Compound ID | C3rQk62VrZP |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c1-2-11-6-5-7-12(10-11)18-15(17)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3 |
| InChIKey | HSBULRZWONZIRG-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 | 3PxBGj38uZD |
|---|---|
| Name | 2-Bromobenzoic acid, 3-ethylphenyl 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/c1-2-11-6-5-7-12(10-11)18-15(17)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3 |
| InChIKey | HSBULRZWONZIRG-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1(=C(C=CC=C1)Br)C(=O)OC1=CC(CC)=CC=C1 |