| SpectraBase Compound ID | 1h1AdNEylsD |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-2-3-4-5-12(14)15-11-8-6-10(13)7-9-11/h6-9H,2-5H2,1H3 |
| InChIKey | JRSQXNDXVKDBEK-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpZBfLkXWxw |
|---|---|
| Name | Hexanoic acid, 4-bromophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c1-2-3-4-5-12(14)15-11-8-6-10(13)7-9-11/h6-9H,2-5H2,1H3 |
| InChIKey | JRSQXNDXVKDBEK-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(C=C1)Br)(CCCCC)=O |