| SpectraBase Compound ID | Fbz5R19Tjci |
|---|---|
| InChI | InChI=1S/C17H11ClF2O4/c18-17(19,20)16(22)23-11-6-7-12-13(21)9-14(24-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2 |
| InChIKey | PKESMMHMPMIEPH-UHFFFAOYSA-N |
| Mol Weight | 352.72 g/mol |
| Molecular Formula | C17H11ClF2O4 |
| Exact Mass | 352.031393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZDR2zOfvvS |
|---|---|
| Name | 7-Hydroxyflavanone, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.031392856 u |
| Formula | C17H11ClF2O4 |
| InChI | InChI=1S/C17H11ClF2O4/c18-17(19,20)16(22)23-11-6-7-12-13(21)9-14(24-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2 |
| InChIKey | PKESMMHMPMIEPH-UHFFFAOYSA-N |
| Molecular Weight | 352.721 g/mol |
| SMILES | C1=C(C=CC=C1)C1CC(C2=CC=C(C=C2O1)OC(C(F)(F)Cl)=O)=O |