| SpectraBase Compound ID | 3Erwf9U2D6T |
|---|---|
| InChI | InChI=1S/C16H10ClF3O4/c1-23-11-6-7-12(13(8-11)24-15(22)16(18,19)20)14(21)9-2-4-10(17)5-3-9/h2-8H,1H3 |
| InChIKey | MUHRKUWYVFCGHR-UHFFFAOYSA-N |
| Mol Weight | 358.7 g/mol |
| Molecular Formula | C16H10ClF3O4 |
| Exact Mass | 358.021971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TGjzffPWeV |
|---|---|
| Name | 4'-Chloro-2-hydroxy-4-methoxybenzophenone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.021970987 u |
| Formula | C16H10ClF3O4 |
| InChI | InChI=1S/C16H10ClF3O4/c1-23-11-6-7-12(13(8-11)24-15(22)16(18,19)20)14(21)9-2-4-10(17)5-3-9/h2-8H,1H3 |
| InChIKey | MUHRKUWYVFCGHR-UHFFFAOYSA-N |
| Molecular Weight | 358.700 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=O)C1=C(C=C(C=C1)OC)OC(C(F)(F)F)=O |