| SpectraBase Compound ID | FhbZlvr0fSY |
|---|---|
| InChI | InChI=1S/2C16H36N.C12H20O6P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-17-19(13,14)9-11-5-7-12(8-6-11)10-20(15,16)18-4-2/h2*5-16H2,1-4H3;5-8H,3-4,9-10H2,1-2H3,(H,13,14)(H,15,16)/q2*+1;/p-2 |
| InChIKey | WTWBQUMCNXFASM-UHFFFAOYSA-L |
| Mol Weight | 805.2 g/mol |
| Molecular Formula | C44H90N2O6P2 |
| Exact Mass | 804.627413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iM4lU818Z6 |
|---|---|
| Name | bis-(Tetrabutylammonium)-dimethyl-para-xylylenediphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 804.627412616 u |
| Formula | C44H90N2O6P2 |
| InChI | InChI=1S/2C16H36N.C12H20O6P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-17-19(13,14)9-11-5-7-12(8-6-11)10-20(15,16)18-4-2/h2*5-16H2,1-4H3;5-8H,3-4,9-10H2,1-2H3,(H,13,14)(H,15,16)/q2*+1;/p-2 |
| InChIKey | WTWBQUMCNXFASM-UHFFFAOYSA-L |
| Molecular Weight | 805.160 g/mol |
| SMILES | C([N+](CCCC)(CCCC)CCCC)CCC.C(P(=O)([O-])OCC)C1=CC=C(CP(=O)([O-])OCC)C=C1.C([N+](CCCC)(CCCC)CCCC)CCC |