| SpectraBase Compound ID | 8qG2XIbYt4o |
|---|---|
| InChI | InChI=1S/C16H15BrO2/c1-11(2)12-6-8-15(9-7-12)19-16(18)13-4-3-5-14(17)10-13/h3-11H,1-2H3 |
| InChIKey | HKKHRWVTKIMVIJ-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 | GJRnHKIbmg2 |
|---|---|
| Name | 3-Bromobenzoic acid, 4-isopropylphenyl 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/c1-11(2)12-6-8-15(9-7-12)19-16(18)13-4-3-5-14(17)10-13/h3-11H,1-2H3 |
| InChIKey | HKKHRWVTKIMVIJ-UHFFFAOYSA-N |
| Molecular Weight | 319.198 g/mol |
| SMILES | C(C1=CC(=CC=C1)Br)(=O)OC1=CC=C(C(C)C)C=C1 |