![[(PHEN)-PD-[ETA-(1),ETA-(2)-CH-(CH2SIET3)CH2-C-(13)-(C-(13)O2ET)2CH2CH=CH2]]-(+)-[BAR4]-(-)](/api/spectrum/6H9DuSBPauZ/structure.png?h=300&w=458 "[(PHEN)-PD-[ETA-(1),ETA-(2)-CH-(CH2SIET3)CH2-C-(13)-(C-(13)O2ET)2CH2CH=CH2]]-(+)-[BAR4]-(-)")
| SpectraBase Compound ID | CvC4lbKIriL |
|---|---|
| InChI | InChI=1S/C32H12BF24.C19H33O4Si.C12H8N2.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-7-14-19(17(20)22-8-2,18(21)23-9-3)15-13-16-24(10-4,11-5)12-6;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;1,13H,8-12,14-16H2,2-6H3;1-8H;/q-1;;;+1/i;17+1,18+1,19+1;; |
| InChIKey | GPDHEFCKLXQGQO-WBVGHHQUSA-N |
| Mol Weight | 1506.4 g/mol |
| Molecular Formula | C6013C3H53BF24N2O4PdSi |
| Exact Mass | 1505.261985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6H9DuSBPauZ |
|---|---|
| Name | [(PHEN)-PD-[ETA-(1),ETA-(2)-CH-(CH2SIET3)CH2-C-(13)-(C-(13)O2ET)2CH2CH=CH2]]-(+)-[BAR4]-(-) |
| Compound Number | 5A-( 13)-C-(3) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6013C3H53BF24N2O4PdSi |
| InChI | InChI=1S/C32H12BF24.C19H33O4Si.C12H8N2.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-7-14-19(17(20)22-8-2,18(21)23-9-3)15-13-16-24(10-4,11-5)12-6;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;1,13H,8-12,14-16H2,2-6H3;1-8H;/q-1;;;+1/i;17+1,18+1,19+1;; |
| InChIKey | GPDHEFCKLXQGQO-WBVGHHQUSA-N |
| Literature Reference Author | N.S.PERCH,R.A.WIDENHOEFER |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,6332(2004) |
| Literature Reference DOI | 10.1021/ja049806f |
| Molecular Weight | 1506.379 g/mol |
| Sample ID | 33167 |
| Solvent | CD2Cl2 |