| SpectraBase Compound ID | E3ZfEnMEVG7 |
|---|---|
| InChI | InChI=1S/C21H21ClFO5PS/c1-4-6-14-15-10-9-13(28-29(30,25-2)26-3)11-20(15)27-21(24)16(14)12-17-18(22)7-5-8-19(17)23/h5,7-11H,4,6,12H2,1-3H3 |
| InChIKey | BONQDFADOWDBAS-UHFFFAOYSA-N |
| Mol Weight | 470.88 g/mol |
| Molecular Formula | C21H21ClFO5PS |
| Exact Mass | 470.051988 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73jhTfOg47I |
|---|---|
| Name | 3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, O-ester with O,O-dimethyl phosphorothioate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21ClFO5PS |
| InChI | InChI=1S/C21H21ClFO5PS/c1-4-6-14-15-10-9-13(28-29(30,25-2)26-3)11-20(15)27-21(24)16(14)12-17-18(22)7-5-8-19(17)23/h5,7-11H,4,6,12H2,1-3H3 |
| InChIKey | BONQDFADOWDBAS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 48442M |
| Solvent | CDCl3 |