| SpectraBase Compound ID | B4XFA4AdQK9 |
|---|---|
| InChI | InChI=1S/C16H11F5O2/c17-15(18,16(19,20)21)14(22)23-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | JQSOZVYUMVWFPL-UHFFFAOYSA-N |
| Mol Weight | 330.25 g/mol |
| Molecular Formula | C16H11F5O2 |
| Exact Mass | 330.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdbKkSKyH1u |
|---|---|
| Name | 2-(Phenylmethyl)phenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.067920407 u |
| Formula | C16H11F5O2 |
| InChI | InChI=1S/C16H11F5O2/c17-15(18,16(19,20)21)14(22)23-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | JQSOZVYUMVWFPL-UHFFFAOYSA-N |
| Molecular Weight | 330.254 g/mol |
| SMILES | C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1)CC1=CC=CC=C1 |