| SpectraBase Compound ID | 7VaidsjuWNE |
|---|---|
| InChI | InChI=1S/C11H6ClF7O2/c12-7-3-1-2-6(4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2 |
| InChIKey | NLNBJAOYDKGLFG-UHFFFAOYSA-N |
| Mol Weight | 338.61 g/mol |
| Molecular Formula | C11H6ClF7O2 |
| Exact Mass | 337.994454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12vgOpsF3rq |
|---|---|
| Name | 3-Chlorobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.994454272 u |
| Formula | C11H6ClF7O2 |
| InChI | InChI=1S/C11H6ClF7O2/c12-7-3-1-2-6(4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2 |
| InChIKey | NLNBJAOYDKGLFG-UHFFFAOYSA-N |
| Molecular Weight | 338.609 g/mol |
| SMILES | C1(=CC(=CC=C1)Cl)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |