| SpectraBase Compound ID | EbtqWHxYrX6 |
|---|---|
| InChI | InChI=1S/C18H13F7O2/c1-11-7-5-6-10-13(11)14(12-8-3-2-4-9-12)27-15(26)16(19,20)17(21,22)18(23,24)25/h2-10,14H,1H3 |
| InChIKey | WUUFFKQYHHYVOM-UHFFFAOYSA-N |
| Mol Weight | 394.29 g/mol |
| Molecular Formula | C18H13F7O2 |
| Exact Mass | 394.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqTNBuvSbkt |
|---|---|
| Name | 2-Methylbenzhydrol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.080376798 u |
| Formula | C18H13F7O2 |
| InChI | InChI=1S/C18H13F7O2/c1-11-7-5-6-10-13(11)14(12-8-3-2-4-9-12)27-15(26)16(19,20)17(21,22)18(23,24)25/h2-10,14H,1H3 |
| InChIKey | WUUFFKQYHHYVOM-UHFFFAOYSA-N |
| Molecular Weight | 394.289 g/mol |
| SMILES | C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(C1=C(C)C=CC=C1)C1=CC=CC=C1 |