| SpectraBase Compound ID | 4lWwERBcn6p |
|---|---|
| InChI | InChI=1S/C16H8ClF5O3/c17-11-5-1-9(2-6-11)13(23)10-3-7-12(8-4-10)25-14(24)15(18,19)16(20,21)22/h1-8H |
| InChIKey | MIZPAOCCORDYDF-UHFFFAOYSA-N |
| Mol Weight | 378.68 g/mol |
| Molecular Formula | C16H8ClF5O3 |
| Exact Mass | 378.008213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1C0ESUAE2C4 |
|---|---|
| Name | 4-Chloro-4'-hydroxybenzophenone, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.008212630 u |
| Formula | C16H8ClF5O3 |
| InChI | InChI=1S/C16H8ClF5O3/c17-11-5-1-9(2-6-11)13(23)10-3-7-12(8-4-10)25-14(24)15(18,19)16(20,21)22/h1-8H |
| InChIKey | MIZPAOCCORDYDF-UHFFFAOYSA-N |
| Molecular Weight | 378.682 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |