| SpectraBase Compound ID | Ci8SBtqzqfF |
|---|---|
| InChI | InChI=1S/C9H17BrO2/c1-7(2)5-4-6-12-9(11)8(3)10/h7-8H,4-6H2,1-3H3 |
| InChIKey | PSVOQLMVQBPVJW-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C9H17BrO2 |
| Exact Mass | 236.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgNIgmXNBls |
|---|---|
| Name | 2-Bromopropionic acid, 4-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.041192785 u |
| Formula | C9H17BrO2 |
| InChI | InChI=1S/C9H17BrO2/c1-7(2)5-4-6-12-9(11)8(3)10/h7-8H,4-6H2,1-3H3 |
| InChIKey | PSVOQLMVQBPVJW-UHFFFAOYSA-N |
| Molecular Weight | 237.137 g/mol |
| SMILES | C(OC(C(C)Br)=O)CCC(C)C |