| SpectraBase Compound ID | DVjQF4kBVwL |
|---|---|
| InChI | InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3 |
| InChIKey | YGLPDRIMFIXNBI-UHFFFAOYSA-N |
| Mol Weight | 209.08 g/mol |
| Molecular Formula | C7H13BrO2 |
| Exact Mass | 208.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50BTe5BcXTP |
|---|---|
| Name | Hexanoic acid, 2-bromo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.009892657 u |
| Formula | C7H13BrO2 |
| InChI | InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3 |
| InChIKey | YGLPDRIMFIXNBI-UHFFFAOYSA-N |
| Molecular Weight | 209.083 g/mol |
| SMILES | C(OC)(=O)C(CCCC)Br |