| SpectraBase Compound ID | GypvcehkCzh |
|---|---|
| InChI | InChI=1S/C10H3Cl2F7O2/c11-5-2-1-4(3-6(5)12)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H |
| InChIKey | LLKMPEITOAWSGS-UHFFFAOYSA-N |
| Mol Weight | 359.03 g/mol |
| Molecular Formula | C10H3Cl2F7O2 |
| Exact Mass | 357.939832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JewTA998umC |
|---|---|
| Name | 3,4-Dichlorophenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.939831876 u |
| Formula | C10H3Cl2F7O2 |
| InChI | InChI=1S/C10H3Cl2F7O2/c11-5-2-1-4(3-6(5)12)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H |
| InChIKey | LLKMPEITOAWSGS-UHFFFAOYSA-N |
| Molecular Weight | 359.027 g/mol |
| SMILES | C1=C(C(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl)Cl |