| SpectraBase Compound ID | FVN6xe7sFbK |
|---|---|
| InChI | InChI=1S/C16H10ClF3O3/c1-9-6-7-13(23-15(22)16(18,19)20)11(8-9)14(21)10-4-2-3-5-12(10)17/h2-8H,1H3 |
| InChIKey | BZUYSPAVOXXCPD-UHFFFAOYSA-N |
| Mol Weight | 342.7 g/mol |
| Molecular Formula | C16H10ClF3O3 |
| Exact Mass | 342.027056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fFb2J5Dukz |
|---|---|
| Name | 2'-Chloro-2-hydroxy-5-methylbenzophenone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.027056368 u |
| Formula | C16H10ClF3O3 |
| InChI | InChI=1S/C16H10ClF3O3/c1-9-6-7-13(23-15(22)16(18,19)20)11(8-9)14(21)10-4-2-3-5-12(10)17/h2-8H,1H3 |
| InChIKey | BZUYSPAVOXXCPD-UHFFFAOYSA-N |
| Molecular Weight | 342.701 g/mol |
| SMILES | C1(Cl)=C(C=CC=C1)C(=O)C1=C(C=CC(=C1)C)OC(C(F)(F)F)=O |