![[2-(tributylphosphonio)-4-pyridyl]triphenylphosphonium-bis(trifluoromethanesulfonate)](/api/spectrum/C3H5KPgKS3d/structure.png?h=300&w=458 "[2-(tributylphosphonio)-4-pyridyl]triphenylphosphonium-bis(trifluoromethanesulfonate)")
| SpectraBase Compound ID | BmiZWpIyZwl |
|---|---|
| InChI | InChI=1S/C35H45NP2.2CHF3O3S/c1-4-7-27-37(28-8-5-2,29-9-6-3)35-30-34(25-26-36-35)38(31-19-13-10-14-20-31,32-21-15-11-16-22-32)33-23-17-12-18-24-33;2*2-1(3,4)8(5,6)7/h10-26,30H,4-9,27-29H2,1-3H3;2*(H,5,6,7)/q+2;;/p-2 |
| InChIKey | YRKDRKNXBOCWFU-UHFFFAOYSA-L |
| Mol Weight | 839.83 g/mol |
| Molecular Formula | C37H45F6NO6P2S2 |
| Exact Mass | 839.206773 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C3H5KPgKS3d |
|---|---|
| Name | [2-(tributylphosphonio)-4-pyridyl]triphenylphosphonium-bis(trifluoromethanesulfonate) |
| CAS Registry Number | 113964-84-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H45F6NO6P2S2 |
| InChI | InChI=1S/C35H45NP2.2CHF3O3S/c1-4-7-27-37(28-8-5-2,29-9-6-3)35-30-34(25-26-36-35)38(31-19-13-10-14-20-31,32-21-15-11-16-22-32)33-23-17-12-18-24-33;2*2-1(3,4)8(5,6)7/h10-26,30H,4-9,27-29H2,1-3H3;2*(H,5,6,7)/q+2;;/p-2 |
| InChIKey | YRKDRKNXBOCWFU-UHFFFAOYSA-L |
| Molecular Weight | 839.826 g/mol |
| SMILES | c1(cc([P+](CCCC)(CCCC)CCCC)ncc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(S([O-])(=O)=O)(F)(F)F.C(S([O-])(=O)=O)(F)(F)F |
| SPLASH | splash10-0006-0040009000-701c6a31accdabc7f5e5 |
| Source of Spectrum | K-122-117-28 |
| Wiley ID | 1417609 |