| SpectraBase Compound ID | Fi6FAHvp69M |
|---|---|
| InChI | InChI=1S/C12H22BrClO2/c13-9-7-8-12(15)16-11-6-4-2-1-3-5-10-14/h1-11H2 |
| InChIKey | NZSCQBROFMTNGG-UHFFFAOYSA-N |
| Mol Weight | 313.66 g/mol |
| Molecular Formula | C12H22BrClO2 |
| Exact Mass | 312.049171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETgwTd1I8SA |
|---|---|
| Name | 4-Bromobutyric acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.049170646 u |
| Formula | C12H22BrClO2 |
| InChI | InChI=1S/C12H22BrClO2/c13-9-7-8-12(15)16-11-6-4-2-1-3-5-10-14/h1-11H2 |
| InChIKey | NZSCQBROFMTNGG-UHFFFAOYSA-N |
| Molecular Weight | 313.663 g/mol |
| SMILES | C(CCCBr)(=O)OCCCCCCCCCl |