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[(5-ETA-C5H5)RE(NO)(PPH3)(2-ETA-O=CH-4-C6H4CH3)]+BF4-;DISTEREOMER-PI
SpectraBase Compound ID 18y1xzwCW60
InChI InChI=1S/C18H15P.C8H8O.C5H.BF4.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-2-4-8(6-9)5-3-7;1-2-4-5-3-1;2-1(3,4)5;1-2;/h1-15H;2-6H,1H3;1H;;;/q;;;2*-1;+1/p+1
InChIKey GKFPVJUHKBPDKD-UHFFFAOYSA-O
Mol Weight 747.53 g/mol
Molecular Formula C31H25BF4NO2PRe
Exact Mass 748.120961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AX9cJQitwXJ
Name [(5-ETA-C5H5)RE(NO)(PPH3)(2-ETA-O=CH-4-C6H4CH3)]+BF4-;DISTEREOMER-PI'
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H24BF4NO2PRe
InChI InChI=1S/C18H15P.C8H8O.C5H.BF4.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-2-4-8(6-9)5-3-7;1-2-4-5-3-1;2-1(3,4)5;1-2;/h1-15H;2-6H,1H3;1H;;;/q;;;2*-1;+1/p+1
InChIKey GKFPVJUHKBPDKD-UHFFFAOYSA-O
Literature Reference Author B.J.BOONE,D.P.KLEIN,J.W.SEYLER,N.Q.MENDEZ,A.M.ARIF,J.A.GLADY SZ
Literature Reference Citation J.AM.CHEM.SOC.,118,2411(1996)
Literature Reference DOI 10.1021/ja953523t
Molecular Weight 746.521 g/mol
Sample ID 57810
Solvent CD2Cl2