| SpectraBase Compound ID | 2EW2pdcnNlM |
|---|---|
| InChI | InChI=1S/C10H11BrO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3 |
| InChIKey | RTXXREYZBOONJV-UHFFFAOYSA-N |
| Mol Weight | 243.1 g/mol |
| Molecular Formula | C10H11BrO2 |
| Exact Mass | 241.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBnx0tvI4wm |
|---|---|
| Name | 4-Bromobenzoic acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.994242592 u |
| Formula | C10H11BrO2 |
| InChI | InChI=1S/C10H11BrO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3 |
| InChIKey | RTXXREYZBOONJV-UHFFFAOYSA-N |
| Molecular Weight | 243.100 g/mol |
| SMILES | C1=CC(=CC=C1Br)C(=O)OC(C)C |