| SpectraBase Compound ID | 3ElLViXiSYF |
|---|---|
| InChI | InChI=1S/C40H34N4O8P2.2C16H36N/c1-53(47,48)51-31-21-17-27(18-22-31)25-9-13-29(14-10-25)39(45)42-35-7-3-5-33-37(35)44-38-34(41-33)6-4-8-36(38)43-40(46)30-15-11-26(12-16-30)28-19-23-32(24-20-28)52-54(2,49)50;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-24,41,44H,1-2H3,(H,42,45)(H,43,46)(H,47,48)(H,49,50);2*5-16H2,1-4H3/q;2*+1/p-2 |
| InChIKey | MXJFYPMRUCKYQH-UHFFFAOYSA-L |
| Mol Weight | 1243.6 g/mol |
| Molecular Formula | C72H104N6O8P2 |
| Exact Mass | 1242.739088 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HB2Fs8PfOXb |
|---|---|
| Name | 1,9-bis-(4''-Hydroxymethylphosphinoyloxybiphenyl-4'-carboxamide)-phenazine-bis-tetrabutylammonium-salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1242.739088321 u |
| Formula | C72H104N6O8P2 |
| InChI | InChI=1S/C40H34N4O8P2.2C16H36N/c1-53(47,48)51-31-21-17-27(18-22-31)25-9-13-29(14-10-25)39(45)42-35-7-3-5-33-37(35)44-38-34(41-33)6-4-8-36(38)43-40(46)30-15-11-26(12-16-30)28-19-23-32(24-20-28)52-54(2,49)50;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-24,41,44H,1-2H3,(H,42,45)(H,43,46)(H,47,48)(H,49,50);2*5-16H2,1-4H3/q;2*+1/p-2 |
| InChIKey | MXJFYPMRUCKYQH-UHFFFAOYSA-L |
| Molecular Weight | 1243.606 g/mol |
| SMILES | C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC.C1(OP([O-])(=O)C)=CC=C(C2=CC=C(C(NC3=CC=CC=4NC5=CC=CC(=C5NC34)NC(=O)C3=CC=C(C=C3)C3=CC=C(C=C3)OP(=O)(C)[O-])=O)C=C2)C=C1 |