| SpectraBase Compound ID | GeSrh9fA8nN |
|---|---|
| InChI | InChI=1S/C33H43N2OPS/c1-32(2,3)25-21-24(31(36)28(22-25)33(4,5)6)23-34-29-19-13-14-20-30(29)35-37(38,26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,21-23,29-30,36H,13-14,19-20H2,1-6H3,(H,35,38)/b34-23+/t29-,30-/m1/s1 |
| InChIKey | GDZPADQOTQFDKO-CANSSVGJSA-N |
| Mol Weight | 546.8 g/mol |
| Molecular Formula | C33H43N2OPS |
| Exact Mass | 546.283372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JCtmt4NjlhH |
|---|---|
| Name | Trans-1-N-(3,5-di-tert-butyl-2-hydroxyphenylmethylene)amino-2-N'-(diphenylthioxophosphino)aminocyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.283372184 u |
| Formula | C33H43N2OPS |
| InChI | InChI=1S/C33H43N2OPS/c1-32(2,3)25-21-24(31(36)28(22-25)33(4,5)6)23-34-29-19-13-14-20-30(29)35-37(38,26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,21-23,29-30,36H,13-14,19-20H2,1-6H3,(H,35,38)/b34-23+/t29-,30-/m1/s1 |
| InChIKey | GDZPADQOTQFDKO-CANSSVGJSA-N |
| Molecular Weight | 546.754 g/mol |
| SMILES | [C@@]1(NP(=S)(C=2C=CC=CC2)C=2C=CC=CC2)([C@](\N=C\C=2C(=C(C(C)(C)C)C=C(C2)C(C)(C)C)O)(CCCC1)[H])[H] |