![2,7-DI-TERT.-BUTYL-4,5-BIS-[DI-[PARA-(6-PARA-SULFONATOPHENYLHEXYL)-PHENOXY]-PHOSPHINO]-9,9-DIMETHYLXANTHENE](/api/spectrum/1LC3qIroXhg/structure.png?h=300&w=458 "2,7-DI-TERT.-BUTYL-4,5-BIS-[DI-[PARA-(6-PARA-SULFONATOPHENYLHEXYL)-PHENOXY]-PHOSPHINO]-9,9-DIMETHYLXANTHENE")
| SpectraBase Compound ID | BrbiozxyRRI |
|---|---|
| InChI | InChI=1S/C95H112O17P2S4.4Na/c1-93(2,3)73-65-87-91(89(67-73)113(79-45-37-75(38-46-79)108-61-21-13-9-17-25-69-29-53-83(54-30-69)115(96,97)98)80-47-39-76(40-48-80)109-62-22-14-10-18-26-70-31-55-84(56-32-70)116(99,100)101)112-92-88(95(87,7)8)66-74(94(4,5)6)68-90(92)114(81-49-41-77(42-50-81)110-63-23-15-11-19-27-71-33-57-85(58-34-71)117(102,103)104)82-51-43-78(44-52-82)111-64-24-16-12-20-28-72-35-59-86(60-36-72)118(105,106)107;;;;/h29-60,65-68H,9-28,61-64H2,1-8H3,(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107);;;;/q;4*+1/p-4 |
| InChIKey | XGCMBPNJAKDKOS-UHFFFAOYSA-J |
| Mol Weight | 1804.03860112 g/mol |
| Molecular Formula | C95H108Na4O17P2S4 |
| Exact Mass | 1802.553538 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LC3qIroXhg |
|---|---|
| Name | 2,7-DI-TERT.-BUTYL-4,5-BIS-[DI-[PARA-(6-PARA-SULFONATOPHENYLHEXYL)-PHENOXY]-PHOSPHINO]-9,9-DIMETHYLXANTHENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C95H108Na4O17P2S4 |
| InChI | InChI=1S/C95H112O17P2S4.4Na/c1-93(2,3)73-65-87-91(89(67-73)113(79-45-37-75(38-46-79)108-61-21-13-9-17-25-69-29-53-83(54-30-69)115(96,97)98)80-47-39-76(40-48-80)109-62-22-14-10-18-26-70-31-55-84(56-32-70)116(99,100)101)112-92-88(95(87,7)8)66-74(94(4,5)6)68-90(92)114(81-49-41-77(42-50-81)110-63-23-15-11-19-27-71-33-57-85(58-34-71)117(102,103)104)82-51-43-78(44-52-82)111-64-24-16-12-20-28-72-35-59-86(60-36-72)118(105,106)107;;;;/h29-60,65-68H,9-28,61-64H2,1-8H3,(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107);;;;/q;4*+1/p-4 |
| InChIKey | XGCMBPNJAKDKOS-UHFFFAOYSA-J |
| Literature Reference Author | M.S.GOEDHEIJT,B.E.HANSON,J.N.H.REEK,P.C.J.KAMER,P.W.N.M.V.LE EUWEN |
| Literature Reference Citation | J.AM.CHEM.SOC.,122,1650(2000) |
| Literature Reference DOI | 10.1021/ja9925610 |
| Solvent | C6D6 |
| Source File Reference | UWSI9401 |