| SpectraBase Compound ID | 3xaXdNCR15B |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3 |
| InChIKey | LKRBJGQCGJSSSX-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOnt6pNFyFU |
|---|---|
| Name | Acetic acid, (3-bromophenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3 |
| InChIKey | LKRBJGQCGJSSSX-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C1=CC=C(C=C1Br)COC(=O)C |