| SpectraBase Compound ID | 3odbQMIhWoZ |
|---|---|
| InChI | InChI=1S/C15H14Cl2F4O4/c1-2-3-4-5-9-6-10(24-12(22)14(16,18)19)8-11(7-9)25-13(23)15(17,20)21/h6-8H,2-5H2,1H3 |
| InChIKey | LAFFAIIUSKJZGF-UHFFFAOYSA-N |
| Mol Weight | 405.17 g/mol |
| Molecular Formula | C15H14Cl2F4O4 |
| Exact Mass | 404.020527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmrISVta7TW |
|---|---|
| Name | Olivetol, bis(chlorodifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.020526979 u |
| Formula | C15H14Cl2F4O4 |
| InChI | InChI=1S/C15H14Cl2F4O4/c1-2-3-4-5-9-6-10(24-12(22)14(16,18)19)8-11(7-9)25-13(23)15(17,20)21/h6-8H,2-5H2,1H3 |
| InChIKey | LAFFAIIUSKJZGF-UHFFFAOYSA-N |
| Molecular Weight | 405.173 g/mol |
| SMILES | C1=C(C=C(C=C1OC(C(F)(F)Cl)=O)CCCCC)OC(C(F)(F)Cl)=O |