| SpectraBase Compound ID | yqSYJnQkKQ |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3 |
| InChIKey | CJYJSYHSFIMPEF-UHFFFAOYSA-N |
| Mol Weight | 257.13 g/mol |
| Molecular Formula | C11H13BrO2 |
| Exact Mass | 256.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gmcb3lJiZ4Y |
|---|---|
| Name | 2-Bromopropionic acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.009892657 u |
| Formula | C11H13BrO2 |
| InChI | InChI=1S/C11H13BrO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3 |
| InChIKey | CJYJSYHSFIMPEF-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C(C(=O)OC1=CC(C)=CC(C)=C1)(Br)C |