| SpectraBase Compound ID | Hj4TE7ksSgR |
|---|---|
| InChI | InChI=1S/C11H5Cl2F7O2/c1-4-2-5(12)7(6(13)3-4)22-8(21)9(14,15)10(16,17)11(18,19)20/h2-3H,1H3 |
| InChIKey | XMNTZXODTJXEOF-UHFFFAOYSA-N |
| Mol Weight | 373.05 g/mol |
| Molecular Formula | C11H5Cl2F7O2 |
| Exact Mass | 371.955482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EESqaoUjilg |
|---|---|
| Name | 2,6-Dichloro-4-methylphenol, o-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.955481940 u |
| Formula | C11H5Cl2F7O2 |
| InChI | InChI=1S/C11H5Cl2F7O2/c1-4-2-5(12)7(6(13)3-4)22-8(21)9(14,15)10(16,17)11(18,19)20/h2-3H,1H3 |
| InChIKey | XMNTZXODTJXEOF-UHFFFAOYSA-N |
| Molecular Weight | 373.054 g/mol |
| SMILES | C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(Cl)C=C(C=C1Cl)C |