| SpectraBase Compound ID | FKH7HeBkJmI |
|---|---|
| InChI | InChI=1S/C13H17BrO2/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey | CRQXYWRYKDAOKA-UHFFFAOYSA-N |
| Mol Weight | 285.18 g/mol |
| Molecular Formula | C13H17BrO2 |
| Exact Mass | 284.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4M9SrhbQjE4 |
|---|---|
| Name | 6-Bromohexanoic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.041192785 u |
| Formula | C13H17BrO2 |
| InChI | InChI=1S/C13H17BrO2/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey | CRQXYWRYKDAOKA-UHFFFAOYSA-N |
| SMILES | C(Br)CCCCC(=O)OCC1=CC=CC=C1 |