| SpectraBase Compound ID | FFKg34fyM9b |
|---|---|
| InChI | InChI=1S/C17H13ClF3NO5/c1-2-7-26-16(23)12-9-11(4-5-14(12)22(24)25)27-15-6-3-10(8-13(15)18)17(19,20)21/h3-6,8-9H,2,7H2,1H3 |
| InChIKey | ZZCKHVXKCLNEAW-UHFFFAOYSA-N |
| Mol Weight | 403.74 g/mol |
| Molecular Formula | C17H13ClF3NO5 |
| Exact Mass | 403.043435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ucpLbP9vQW |
|---|---|
| Name | Acifluorfen, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.043434707 u |
| Formula | C17H13ClF3NO5 |
| InChI | InChI=1S/C17H13ClF3NO5/c1-2-7-26-16(23)12-9-11(4-5-14(12)22(24)25)27-15-6-3-10(8-13(15)18)17(19,20)21/h3-6,8-9H,2,7H2,1H3 |
| InChIKey | ZZCKHVXKCLNEAW-UHFFFAOYSA-N |
| Molecular Weight | 403.741 g/mol |
| SMILES | C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCC)=O)C1)N(=O)=O)C(F)(F)F |