| SpectraBase Compound ID | 7eciaoGi7hY |
|---|---|
| InChI | InChI=1S/C16H15BrO3/c1-11(2)19-14-5-3-4-6-15(14)20-16(18)12-7-9-13(17)10-8-12/h3-11H,1-2H3 |
| InChIKey | HSSMLGLIWDLHLC-UHFFFAOYSA-N |
| Mol Weight | 335.2 g/mol |
| Molecular Formula | C16H15BrO3 |
| Exact Mass | 334.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vgW1MZBmu9 |
|---|---|
| Name | 4-Bromobenzoic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.020457340 u |
| Formula | C16H15BrO3 |
| InChI | InChI=1S/C16H15BrO3/c1-11(2)19-14-5-3-4-6-15(14)20-16(18)12-7-9-13(17)10-8-12/h3-11H,1-2H3 |
| InChIKey | HSSMLGLIWDLHLC-UHFFFAOYSA-N |
| Molecular Weight | 335.197 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC1=CC=CC=C1OC(C)C)=O)Br |