| SpectraBase Compound ID | G2DKpkXwI4c |
|---|---|
| InChI | InChI=1S/C16H9F7O2/c17-14(18,15(19,20)16(21,22)23)13(24)25-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | KVDSEQVPFZJTHH-UHFFFAOYSA-N |
| Mol Weight | 366.23 g/mol |
| Molecular Formula | C16H9F7O2 |
| Exact Mass | 366.049077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKXJGWwGHea |
|---|---|
| Name | 3-Hydroxybiphenyl, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.049076669 u |
| Formula | C16H9F7O2 |
| InChI | InChI=1S/C16H9F7O2/c17-14(18,15(19,20)16(21,22)23)13(24)25-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | KVDSEQVPFZJTHH-UHFFFAOYSA-N |
| Molecular Weight | 366.235 g/mol |
| SMILES | C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=CC=C1)C1=CC=CC=C1 |