| SpectraBase Compound ID | 7umej3mC33X |
|---|---|
| InChI | InChI=1S/C13H17BrO2/c1-11-6-5-7-12(10-11)16-13(15)8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3 |
| InChIKey | YHTFVGXZYPGPKO-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 | Fcy33SoqpkG |
|---|---|
| Name | 6-Bromohexanoic acid, 3-methylphenyl 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/c1-11-6-5-7-12(10-11)16-13(15)8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3 |
| InChIKey | YHTFVGXZYPGPKO-UHFFFAOYSA-N |
| SMILES | C(CCCC(OC1=CC=CC(C)=C1)=O)CBr |