| SpectraBase Compound ID | 9WbyV9JhDZK |
|---|---|
| InChI | InChI=1S/C16H11ClF2O4/c1-9(17)15(20)22-10-4-2-5-11(8-10)23-16(21)14-12(18)6-3-7-13(14)19/h2-9H,1H3 |
| InChIKey | ZACHTDUXXOFNQH-UHFFFAOYSA-N |
| Mol Weight | 340.71 g/mol |
| Molecular Formula | C16H11ClF2O4 |
| Exact Mass | 340.031393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12o2lTpVPCR |
|---|---|
| Name | 1,3-Benzenediol, o-(2,6-difluorobenzoyl)-o'-(2-chloropropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.031392856 u |
| Formula | C16H11ClF2O4 |
| InChI | InChI=1S/C16H11ClF2O4/c1-9(17)15(20)22-10-4-2-5-11(8-10)23-16(21)14-12(18)6-3-7-13(14)19/h2-9H,1H3 |
| InChIKey | ZACHTDUXXOFNQH-UHFFFAOYSA-N |
| Molecular Weight | 340.710 g/mol |
| SMILES | C1=C(C=C(C=C1)OC(C(C)Cl)=O)OC(=O)C1=C(C=CC=C1F)F |