| SpectraBase Compound ID | LQE4ZiwVhRW |
|---|---|
| InChI | InChI=1S/C24H33N2O5P/c1-5-17-16-26-13-11-18(17)14-23(26)24(31-32(27,29-6-2)30-7-3)20-10-12-25-22-9-8-19(28-4)15-21(20)22/h5,8-10,12,15,17-18,23-24H,1,6-7,11,13-14,16H2,2-4H3/t17-,18-,23-,24-/m0/s1 |
| InChIKey | MJRRIGMMPLEEKS-MQQADFIWSA-N |
| Mol Weight | 460.5 g/mol |
| Molecular Formula | C24H33N2O5P |
| Exact Mass | 460.212709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJR4i7FFY5A |
|---|---|
| Name | o,o-Diethyl-o-quininylphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.212709164 u |
| Formula | C24H33N2O5P |
| InChI | InChI=1S/C24H33N2O5P/c1-5-17-16-26-13-11-18(17)14-23(26)24(31-32(27,29-6-2)30-7-3)20-10-12-25-22-9-8-19(28-4)15-21(20)22/h5,8-10,12,15,17-18,23-24H,1,6-7,11,13-14,16H2,2-4H3/t17-,18-,23-,24-/m0/s1 |
| InChIKey | MJRRIGMMPLEEKS-MQQADFIWSA-N |
| Molecular Weight | 460.511 g/mol |
| SMILES | [C@]1(N2CC[C@@](C1)([C@@](C2)([H])C=C)[H])([C@@](OP(OCC)(=O)OCC)(c1c2cc(ccc2ncc1)OC)[H])[H] |