| SpectraBase Compound ID | 4kJC3Nd2Fdg |
|---|---|
| InChI | InChI=1S/C12H12BrCl3O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2 |
| InChIKey | RFAYCUNNCKCRHH-UHFFFAOYSA-N |
| Mol Weight | 374.49 g/mol |
| Molecular Formula | C12H12BrCl3O2 |
| Exact Mass | 371.908626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39UyGB6YPUj |
|---|---|
| Name | 6-Bromohexanoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.908625724 u |
| Formula | C12H12BrCl3O2 |
| InChI | InChI=1S/C12H12BrCl3O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2 |
| InChIKey | RFAYCUNNCKCRHH-UHFFFAOYSA-N |
| Molecular Weight | 374.489 g/mol |
| SMILES | C(CCCCCBr)(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |