| SpectraBase Compound ID | AWeSulwUVdH |
|---|---|
| InChI | InChI=1S/C6H11BrO2/c1-3-4-5(7)6(8)9-2/h5H,3-4H2,1-2H3 |
| InChIKey | MGMWQSVSOGNGPL-UHFFFAOYSA-N |
| Mol Weight | 195.06 g/mol |
| Molecular Formula | C6H11BrO2 |
| Exact Mass | 193.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AG7JspWhwOz |
|---|---|
| Name | Pentanoic acid, 2-bromo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.994242592 u |
| Formula | C6H11BrO2 |
| InChI | InChI=1S/C6H11BrO2/c1-3-4-5(7)6(8)9-2/h5H,3-4H2,1-2H3 |
| InChIKey | MGMWQSVSOGNGPL-UHFFFAOYSA-N |
| Molecular Weight | 195.056 g/mol |
| SMILES | C(OC)(=O)C(CCC)Br |