| SpectraBase Compound ID | 6cBFTIx4qT6 |
|---|---|
| InChI | InChI=1S/C32H28O6P2.2C16H36N/c33-39(34,37-31-15-7-13-29(21-31)27-9-3-1-4-10-27)23-25-17-19-26(20-18-25)24-40(35,36)38-32-16-8-14-30(22-32)28-11-5-2-6-12-28;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-22H,23-24H2,(H,33,34)(H,35,36);2*5-16H2,1-4H3/q;2*+1/p-2 |
| InChIKey | FNGLZBHDKAUZMP-UHFFFAOYSA-L |
| Mol Weight | 1053.4 g/mol |
| Molecular Formula | C64H98N2O6P2 |
| Exact Mass | 1052.690013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Q8YSeDx5CZ |
|---|---|
| Name | bis-(Tetrabutylammonium)-bis-(metha-biphenylyl)-para-xylylenediphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1052.690012874 u |
| Formula | C64H98N2O6P2 |
| InChI | InChI=1S/C32H28O6P2.2C16H36N/c33-39(34,37-31-15-7-13-29(21-31)27-9-3-1-4-10-27)23-25-17-19-26(20-18-25)24-40(35,36)38-32-16-8-14-30(22-32)28-11-5-2-6-12-28;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-22H,23-24H2,(H,33,34)(H,35,36);2*5-16H2,1-4H3/q;2*+1/p-2 |
| InChIKey | FNGLZBHDKAUZMP-UHFFFAOYSA-L |
| Molecular Weight | 1053.444 g/mol |
| SMILES | C([N+](CCCC)(CCCC)CCCC)CCC.C(P(=O)([O-])OC1=CC(=CC=C1)C1=CC=CC=C1)C1=CC=C(CP(=O)([O-])OC2=CC(=CC=C2)C2=CC=CC=C2)C=C1.C([N+](CCCC)(CCCC)CCCC)CCC |