| SpectraBase Compound ID | 7UtuJxs2D6X |
|---|---|
| InChI | InChI=1S/C16H15BrO2/c1-2-6-12-7-3-4-10-15(12)19-16(18)13-8-5-9-14(17)11-13/h3-5,7-11H,2,6H2,1H3 |
| InChIKey | RIIYRMCUWXNAOB-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 | Hw7TF60Ujxk |
|---|---|
| Name | 3-Bromobenzoic acid, 2-propylphenyl 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/c1-2-6-12-7-3-4-10-15(12)19-16(18)13-8-5-9-14(17)11-13/h3-5,7-11H,2,6H2,1H3 |
| InChIKey | RIIYRMCUWXNAOB-UHFFFAOYSA-N |
| Molecular Weight | 319.198 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OC=1C(CCC)=CC=CC1)Br |