| SpectraBase Compound ID | F5vfeLjSSmD |
|---|---|
| InChI | InChI=1S/C21H12Cl2F3NO5/c22-15-8-16(23)10-17(9-15)32-19-6-1-12(7-18(19)27(29)30)11-31-20(28)13-2-4-14(5-3-13)21(24,25)26/h1-10H,11H2 |
| InChIKey | CDDQSLHDLBYDQX-UHFFFAOYSA-N |
| Mol Weight | 486.23 g/mol |
| Molecular Formula | C21H12Cl2F3NO5 |
| Exact Mass | 485.004462 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rXX7YzYVzw |
|---|---|
| Name | 4-(3,5-dichlorophenoxy)-3-nitrobenzyl alcohol, alpha,alpha,alpha-trifluoro-p-toluate (ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H12Cl2F3NO5 |
| InChI | InChI=1S/C21H12Cl2F3NO5/c22-15-8-16(23)10-17(9-15)32-19-6-1-12(7-18(19)27(29)30)11-31-20(28)13-2-4-14(5-3-13)21(24,25)26/h1-10H,11H2 |
| InChIKey | CDDQSLHDLBYDQX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56233M |
| Solvent | CDCl3 |