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[(ETA(5)-C5ME5)RH(CH2CH2C(O)OCH3)(P(OCH3)3)](+)[B-3,5-(CF3)2C6H3](-)
SpectraBase Compound ID 3cTZIAtUtag
InChI InChI=1S/C32H12BF24.C10H15.C4H7O2.C3H10O3P.Rh/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;1-6-7(2)9(4)10(5)8(6)3;1-3-4(5)6-2;1-4-7(5-2)6-3;/h1-12H;1-5H3;1,3H2,2H3;7H,1-3H3;/q-1;;;+1;
InChIKey ACEWBXCIROMZCO-UHFFFAOYSA-N
Mol Weight 1313.5 g/mol
Molecular Formula C49H44BF24O5PRh
Exact Mass 1313.169108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RROSd8SpNl
Name [(ETA(5)-C5ME5)RH(CH2CH2C(O)OCH3)(P(OCH3)3)](+)[B-3,5-(CF3)2C6H3](-)
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H43BF24O5PRh
InChI InChI=1S/C32H12BF24.C10H15.C4H7O2.C3H10O3P.Rh/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;1-6-7(2)9(4)10(5)8(6)3;1-3-4(5)6-2;1-4-7(5-2)6-3;/h1-12H;1-5H3;1,3H2,2H3;7H,1-3H3;/q-1;;;+1;
InChIKey ACEWBXCIROMZCO-UHFFFAOYSA-N
Literature Reference Author E.HAUPTMAN,S.SABO-ETIENNE,P.S.WHITE,M.BROKKHART,J.M.GARNER,P .J.FAGAN,J.C.CALABRE
Literature Reference Citation J.AM.CHEM.SOC.,116,8038(1994)
Literature Reference DOI 10.1021/ja00097a011
Molecular Weight 1312.528 g/mol
Solvent CD2Cl2
Source File Reference UWSI6486