| SpectraBase Compound ID | LycD66bqrRn |
|---|---|
| InChI | InChI=1S/C21H12F4O2/c22-17-15(11-12-16(26)13-7-3-1-4-8-13)18(23)20(25)21(19(17)24)27-14-9-5-2-6-10-14/h1-12H/b12-11+ |
| InChIKey | CADPXBSGDAHABF-VAWYXSNFSA-N |
| Mol Weight | 372.32 g/mol |
| Molecular Formula | C21H12F4O2 |
| Exact Mass | 372.077342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1djKxfmiaIo |
|---|---|
| Name | para-Phenoxytetrafluorobenzalacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.077342276 u |
| Formula | C21H12F4O2 |
| InChI | InChI=1S/C21H12F4O2/c22-17-15(11-12-16(26)13-7-3-1-4-8-13)18(23)20(25)21(19(17)24)27-14-9-5-2-6-10-14/h1-12H/b12-11+ |
| InChIKey | CADPXBSGDAHABF-VAWYXSNFSA-N |
| Molecular Weight | 372.319 g/mol |
| SMILES | c1(ccccc1)C(\C=C\c1c(F)c(F)c(c(c1F)F)Oc1ccccc1)=O |