| SpectraBase Compound ID | 5gANH9X8541 |
|---|---|
| InChI | InChI=1S/C18H15ClF3NO5/c1-2-3-8-27-17(24)13-10-12(5-6-15(13)23(25)26)28-16-7-4-11(9-14(16)19)18(20,21)22/h4-7,9-10H,2-3,8H2,1H3 |
| InChIKey | PIWYWRFEDQYIEK-UHFFFAOYSA-N |
| Mol Weight | 417.77 g/mol |
| Molecular Formula | C18H15ClF3NO5 |
| Exact Mass | 417.059085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8L6dSL3L5QZ |
|---|---|
| Name | Acifluorfen, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.059084771 u |
| Formula | C18H15ClF3NO5 |
| InChI | InChI=1S/C18H15ClF3NO5/c1-2-3-8-27-17(24)13-10-12(5-6-15(13)23(25)26)28-16-7-4-11(9-14(16)19)18(20,21)22/h4-7,9-10H,2-3,8H2,1H3 |
| InChIKey | PIWYWRFEDQYIEK-UHFFFAOYSA-N |
| Molecular Weight | 417.768 g/mol |
| SMILES | C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCC)=O)C1)N(=O)=O)C(F)(F)F |