| SpectraBase Compound ID | 4RAkBGcpJPf |
|---|---|
| InChI | InChI=1S/C36H34N2O8P2/c1-47(41,42)45-33-18-14-29(15-19-33)27-6-10-31(11-7-27)35(39)37-23-25-4-3-5-26(22-25)24-38-36(40)32-12-8-28(9-13-32)30-16-20-34(21-17-30)46-48(2,43)44/h3-22H,23-24H2,1-2H3,(H,37,39)(H,38,40)(H,41,42)(H,43,44) |
| InChIKey | WKGWBEWYBJACDX-UHFFFAOYSA-N |
| Mol Weight | 684.6 g/mol |
| Molecular Formula | C36H34N2O8P2 |
| Exact Mass | 684.17904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iwu7ium2r9 |
|---|---|
| Name | 1,3-bis-(4''-Hydroxymethylphosphinoyloxybiphenyl-4'-carboxamidomethyl)-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 684.179040051 u |
| Formula | C36H34N2O8P2 |
| InChI | InChI=1S/C36H34N2O8P2/c1-47(41,42)45-33-18-14-29(15-19-33)27-6-10-31(11-7-27)35(39)37-23-25-4-3-5-26(22-25)24-38-36(40)32-12-8-28(9-13-32)30-16-20-34(21-17-30)46-48(2,43)44/h3-22H,23-24H2,1-2H3,(H,37,39)(H,38,40)(H,41,42)(H,43,44) |
| InChIKey | WKGWBEWYBJACDX-UHFFFAOYSA-N |
| Molecular Weight | 684.622 g/mol |
| Nominal Mass | 684 u |
| SMILES | C(NC(=O)C=1C=CC(=CC1)C1=CC=C(C=C1)OP(=O)(C)O)C=1C=C(C=CC1)CNC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)OP(=O)(C)O |