| SpectraBase Compound ID | 1BQ7whFcHQL |
|---|---|
| InChI | InChI=1S/C13H17BrO2/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | LGILEMLGFXWCPR-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 | 1lo1YHwpOwW |
|---|---|
| Name | 5-Bromopentanoic acid, 2-phenylethyl 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/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | LGILEMLGFXWCPR-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=C1CCOC(CCCCBr)=O |