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[RE(CN-TERT.-BUTYL)3(PCY3)2(2-ETA-H2)]-[BF4]

View entire compound with spectra: 2 NMR

[RE(CN-TERT.-BUTYL)3(PCY3)2(2-ETA-H2)]-[BF4]
SpectraBase Compound ID 2Gu2C9QXBa9
InChI InChI=1S/2C18H33P.3C5H9N.BF4.Re.H2/c2*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;2-1(3,4)5;;/h2*16-18H,1-15H2;3*1-3H3;;;1H/q;;3*+1;2*-1;/p+2
InChIKey WCFFVCDRSFNGEU-UHFFFAOYSA-P
Mol Weight 1087.3 g/mol
Molecular Formula C51H97BF4N3P2Re
Exact Mass 1087.674444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZnSObLFutN
Name [RE(CN-TERT.-BUTYL)3(PCY3)2(2-ETA-H2)]-[BF4]
Compound Number 4A-BF4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H95BF4N3P2Re
InChI InChI=1S/2C18H33P.3C5H9N.BF4.Re.H2/c2*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;2-1(3,4)5;;/h2*16-18H,1-15H2;3*1-3H3;;;1H/q;;3*+1;2*-1;/p+2
InChIKey WCFFVCDRSFNGEU-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
Molecular Weight 1085.294 g/mol
Sample ID 54309
Solvent CD2Cl2