| SpectraBase Compound ID | 8LN0NvStleh |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c13-8-4-5-9-15-12(14)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | PAWYJUSHVCMSAN-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 | 7a2vFzmn3Fl |
|---|---|
| Name | 2-Phenylacetic acid 4-bromobutyl 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/c13-8-4-5-9-15-12(14)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | PAWYJUSHVCMSAN-UHFFFAOYSA-N |
| SMILES | C(CC=1C=CC=CC1)(=O)OCCCCBr |