| SpectraBase Compound ID | 6fBFDE82foK |
|---|---|
| InChI | InChI=1S/C12H13BrCl2O2/c13-7-3-1-2-4-12(16)17-9-5-6-10(14)11(15)8-9/h5-6,8H,1-4,7H2 |
| InChIKey | QOZCUULOIRYKJL-UHFFFAOYSA-N |
| Mol Weight | 340.04 g/mol |
| Molecular Formula | C12H13BrCl2O2 |
| Exact Mass | 337.947598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5yq9SEG0fZ0 |
|---|---|
| Name | 6-Bromohexanoic acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.947598057 u |
| Formula | C12H13BrCl2O2 |
| InChI | InChI=1S/C12H13BrCl2O2/c13-7-3-1-2-4-12(16)17-9-5-6-10(14)11(15)8-9/h5-6,8H,1-4,7H2 |
| InChIKey | QOZCUULOIRYKJL-UHFFFAOYSA-N |
| Molecular Weight | 340.044 g/mol |
| SMILES | C1(=C(C=C(C=C1)OC(CCCCCBr)=O)Cl)Cl |