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[RE(CN-TERT.-BUTYL)3(PPH3)2(2-ETA-H2)]-[BAR(F)]

View entire compound with spectra: 1 NMR

[RE(CN-TERT.-BUTYL)3(PPH3)2(2-ETA-H2)]-[BAR(F)]
SpectraBase Compound ID DMBLvoo0QFt
InChI InChI=1S/C32H12BF24.2C18H15P.3C5H9N.Re.H2/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-5(2,3)6-4;;/h1-12H;2*1-15H;3*1-3H3;;1H/q-1;;;3*+1;-1;/p+2
InChIKey KCGZGMYPWGFENB-UHFFFAOYSA-P
Mol Weight 1827.4 g/mol
Molecular Formula C83H73BF24N3P2Re
Exact Mass 1827.454706 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sfEA54odX1
Name [RE(CN-TERT.-BUTYL)3(PPH3)2(2-ETA-H2)]-[BAR(F)]
Compound Number 4B-BAR(F)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C83H71BF24N3P2Re
InChI InChI=1S/C32H12BF24.2C18H15P.3C5H9N.Re.H2/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-5(2,3)6-4;;/h1-12H;2*1-15H;3*1-3H3;;1H/q-1;;;3*+1;-1;/p+2
InChIKey KCGZGMYPWGFENB-UHFFFAOYSA-P
Literature Reference Author D.M.HEINEKEY,M.H.VOGES,D.M.BARNHART
Literature Reference Citation J.AM.CHEM.SOC.,118,10792(1996)
Literature Reference DOI 10.1021/ja961994p
Solvent CD2Cl2
Source File Reference UWLU54316