| SpectraBase Compound ID | FxFNOqVyKW9 |
|---|---|
| InChI | InChI=1S/C12H12Cl4O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2 |
| InChIKey | RWCBWJQSBGXTNB-UHFFFAOYSA-N |
| Mol Weight | 330.0 g/mol |
| Molecular Formula | C12H12Cl4O2 |
| Exact Mass | 327.95914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1EbmCD8tzS |
|---|---|
| Name | 6-Chlorohexanoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.959140424 u |
| Formula | C12H12Cl4O2 |
| InChI | InChI=1S/C12H12Cl4O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2 |
| InChIKey | RWCBWJQSBGXTNB-UHFFFAOYSA-N |
| Molecular Weight | 330.038 g/mol |
| SMILES | C(CCCCCCl)(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |