| SpectraBase Compound ID | IDf2c18LgNc |
|---|---|
| InChI | InChI=1S/C7H13BrO2/c1-2-3-4-5-10-7(9)6-8/h2-6H2,1H3 |
| InChIKey | YOCUEALKMOVVAJ-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 | Gn9jthaSA0I |
|---|---|
| Name | Bromoacetic acid, pentyl 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/c1-2-3-4-5-10-7(9)6-8/h2-6H2,1H3 |
| InChIKey | YOCUEALKMOVVAJ-UHFFFAOYSA-N |
| Molecular Weight | 209.083 g/mol |
| SMILES | C(Br)C(=O)OCCCCC |