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[(1)2CU3(PF6)3]

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[(1)2CU3(PF6)3]
SpectraBase Compound ID KvbKtXrCs4O
InChI InChI=1S/2C40H32N6O2.3Cu.3F6P/c2*1-25-9-11-27-13-15-29-17-19-33(45-39(29)37(27)41-25)23-47-21-31-5-3-7-35(43-31)36-8-4-6-32(44-36)22-48-24-34-20-18-30-16-14-28-12-10-26(2)42-38(28)40(30)46-34;;;;3*1-7(2,3,4,5)6/h2*3-20H,21-24H2,1-2H3;;;;;;/q;;3*+1;3*-1
InChIKey MIAURUIJMVPZKA-UHFFFAOYSA-N
Mol Weight 1883.00344294 g/mol
Molecular Formula C80H64Cu3F18N12O4P3
Exact Mass 1880.198683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdxxkMzOJCI
Name [(1)2CU3(PF6)3]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H64Cu3F18N12O4P3
InChI InChI=1S/2C40H32N6O2.3Cu.3F6P/c2*1-25-9-11-27-13-15-29-17-19-33(45-39(29)37(27)41-25)23-47-21-31-5-3-7-35(43-31)36-8-4-6-32(44-36)22-48-24-34-20-18-30-16-14-28-12-10-26(2)42-38(28)40(30)46-34;;;;3*1-7(2,3,4,5)6/h2*3-20H,21-24H2,1-2H3;;;;;;/q;;3*+1;3*-1
InChIKey MIAURUIJMVPZKA-UHFFFAOYSA-N
Literature Reference Author M.SHAUL,Y.COHEN
Literature Reference Citation J.ORG.CHEM.,64,9358(1999)
Literature Reference DOI 10.1021/jo9908905
Molecular Weight 1882.997 g/mol
Sample ID 59931
Solvent DMSO-D6