| SpectraBase Compound ID | H2WWxng7n1F |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-9-5-3-6-11(10(9)2)15-12(14)7-4-8-13/h3,5-6H,4,7-8H2,1-2H3 |
| InChIKey | WJZUEQCZKNGYQR-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 | DLqjIp0loDY |
|---|---|
| Name | 4-Bromobutyric acid, 2,3-dimethylphenyl 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/c1-9-5-3-6-11(10(9)2)15-12(14)7-4-8-13/h3,5-6H,4,7-8H2,1-2H3 |
| InChIKey | WJZUEQCZKNGYQR-UHFFFAOYSA-N |
| SMILES | C(CCCBr)(=O)OC1=C(C(C)=CC=C1)C |