| SpectraBase Compound ID | J3WuZNciYnc |
|---|---|
| InChI | InChI=1S/C30H32N2O2P2/c33-35(25-15-5-1-6-16-25,26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-36(34,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2,(H,31,33)(H,32,34)/t29-,30-/m1/s1 |
| InChIKey | XHYYYUQTWCDAMU-LOYHVIPDSA-N |
| Mol Weight | 514.5 g/mol |
| Molecular Formula | C30H32N2O2P2 |
| Exact Mass | 514.193902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ay4BCJ2hvUq |
|---|---|
| Name | (1R,2R)1,2-bis(Diphenylphosphoramido)cyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.193902272 u |
| Formula | C30H32N2O2P2 |
| InChI | InChI=1S/C30H32N2O2P2/c33-35(25-15-5-1-6-16-25,26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-36(34,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2,(H,31,33)(H,32,34)/t29-,30-/m1/s1 |
| InChIKey | XHYYYUQTWCDAMU-LOYHVIPDSA-N |
| Molecular Weight | 514.546 g/mol |
| SMILES | [C@@]1(NP(=O)(C=2C=CC=CC2)C2=CC=CC=C2)([C@](NP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)(CCCC1)[H])[H] |