![[RH-[1,2-BIS-[(2R,5R)-2,5-DIETHYLPHOSPHALANO]-BENZENE]]-TRIFLATE-WITH-LABELED-SUBSTRATE-7A;BOUND-SUBSTRATE](/api/spectrum/KrEK9NJPpdb/structure.png?h=300&w=458 "[RH-[1,2-BIS-[(2R,5R)-2,5-DIETHYLPHOSPHALANO]-BENZENE]]-TRIFLATE-WITH-LABELED-SUBSTRATE-7A;BOUND-SUBSTRATE")
| SpectraBase Compound ID | JZFJKVsZd9H |
|---|---|
| InChI | InChI=1S/C18H28P2.C13H13N2O4.C2HF3O2.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-9(16)14-8-11(13(18)19-2)15-12(17)10-6-4-3-5-7-10;3-2(4,5)1(6)7;/h5-8,13-16H,9-12H2,1-4H3;3-7H,1-2H3,(H,14,16)(H,15,17);(H,6,7);/q;;;-1/p+1/t13-,14-,15-,16-;;;/m1.../s1/i;12+1;; |
| InChIKey | XRBGXAUORUHGAC-NHLRFMNUSA-O |
| Mol Weight | 786.6 g/mol |
| Molecular Formula | C3213CH43F3N2O6P2Rh |
| Exact Mass | 786.16369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrEK9NJPpdb |
|---|---|
| Name | [RH-[1,2-BIS-[(2R,5R)-2,5-DIETHYLPHOSPHALANO]-BENZENE]]-TRIFLATE-WITH-LABELED-SUBSTRATE-7A;BOUND-SUBSTRATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H41F3N2O6P2Rh |
| InChI | InChI=1S/C18H28P2.C13H13N2O4.C2HF3O2.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-9(16)14-8-11(13(18)19-2)15-12(17)10-6-4-3-5-7-10;3-2(4,5)1(6)7;/h5-8,13-16H,9-12H2,1-4H3;3-7H,1-2H3,(H,14,16)(H,15,17);(H,6,7);/q;;;-1/p+1/t13-,14-,15-,16-;;;/m1.../s1/i;12+1;; |
| InChIKey | XRBGXAUORUHGAC-NHLRFMNUSA-O |
| Literature Reference Author | A.J.ROBINSON,C.Y.LIM |
| Literature Reference Citation | J.ORG.CHEM.,66,4141(2001) |
| Literature Reference DOI | 10.1021/jo001151n |
| Molecular Weight | 783.547 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25787 |