| SpectraBase Compound ID | HsU1ZI1Y3R0 |
|---|---|
| InChI | InChI=1S/C21H28N4O6/c1-4-5-6-7-8-9-12-31-21(26)17-14-19(15(2)3)23(22-17)18-11-10-16(24(27)28)13-20(18)25(29)30/h10-11,13-15H,4-9,12H2,1-3H3 |
| InChIKey | WTQRIVYXJIQEEZ-UHFFFAOYSA-N |
| Mol Weight | 432.48 g/mol |
| Molecular Formula | C21H28N4O6 |
| Exact Mass | 432.200885 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PNXVlkSnsr |
|---|---|
| Name | 1-(2,4-dinitrophenyl)-5-isopropylpyrazole-3-carboxylic acid, octyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28N4O6 |
| InChI | InChI=1S/C21H28N4O6/c1-4-5-6-7-8-9-12-31-21(26)17-14-19(15(2)3)23(22-17)18-11-10-16(24(27)28)13-20(18)25(29)30/h10-11,13-15H,4-9,12H2,1-3H3 |
| InChIKey | WTQRIVYXJIQEEZ-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 22364M |
| Solvent | CDCl3 |