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Pentamethylcyclopentadienyl-1,2,3,4-tetraphenyl-.eta.-2-butadien-1-yl-nickel

View entire compound with spectra: 1 MS (GC)

Pentamethylcyclopentadienyl-1,2,3,4-tetraphenyl-.eta.-2-butadien-1-yl-nickel
SpectraBase Compound ID 93VAyYrlEiH
InChI InChI=1S/C28H21.C10H15.Ni/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-6-7(2)9(4)10(5)8(6)3;/h1-21H;1-5H3;/b27-21+,28-22?;;
InChIKey GSKHFZSACVCILQ-YTSMNRAUSA-N
Mol Weight 550.39 g/mol
Molecular Formula C38H35Ni
Exact Mass 549.209218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4dMeurJKwn
Name Pentamethylcyclopentadienyl-1,2,3,4-tetraphenyl-.eta.-2-butadien-1-yl-nickel
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H36Ni
InChI InChI=1S/C28H21.C10H15.Ni/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-6-7(2)9(4)10(5)8(6)3;/h1-21H;1-5H3;/b27-21+,28-22?;;
InChIKey GSKHFZSACVCILQ-YTSMNRAUSA-N
Molecular Weight 550.391 g/mol
SMILES C[C]1[C]([C]([C]([C]1C)C)C)C.c1ccc([C][C](\C(=C\([Ni])c2ccccc2)c2ccccc2)c2ccccc2)cc1
SPLASH splash10-014i-2463920000-0a80eb4939bbdb08fc55
Wiley ID 1492287