| SpectraBase Compound ID | F4EpuTx2Xg5 |
|---|---|
| InChI | InChI=1S/C8H12BrCl3O2/c9-5-3-1-2-4-7(13)14-6-8(10,11)12/h1-6H2 |
| InChIKey | VMPRRSDTJAASQS-UHFFFAOYSA-N |
| Mol Weight | 326.45 g/mol |
| Molecular Formula | C8H12BrCl3O2 |
| Exact Mass | 323.908626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9gJJUgoVivg |
|---|---|
| Name | 6-Bromohexanoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.908625724 u |
| Formula | C8H12BrCl3O2 |
| InChI | InChI=1S/C8H12BrCl3O2/c9-5-3-1-2-4-7(13)14-6-8(10,11)12/h1-6H2 |
| InChIKey | VMPRRSDTJAASQS-UHFFFAOYSA-N |
| Molecular Weight | 326.445 g/mol |
| SMILES | C(CCCCCBr)(=O)OCC(Cl)(Cl)Cl |