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Chromium, tricarbonyl[(1',2',3',4',5',6'-.eta.)-5'-phenyl-1,1':3',1''-terphenyl]-
SpectraBase Compound ID DYHUgGVPxKz
InChI InChI=1S/C24H18.3CO.Cr/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;3*1-2;/h1-18H;;;;
InChIKey QYFDWNSPFJEKSD-UHFFFAOYSA-N
Mol Weight 442.434 g/mol
Molecular Formula C27H18CrO3
Exact Mass 442.066099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ab2rzLJcBWC
Name Chromium, tricarbonyl[(1',2',3',4',5',6'-.eta.)-5'-phenyl-1,1':3',1''-terphenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 442.066099437 u
Formula C27H18CrO3
InChI InChI=1S/C24H18.3CO.Cr/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;3*1-2;/h1-18H;;;;
InChIKey QYFDWNSPFJEKSD-UHFFFAOYSA-N
Molecular Weight 442.434 g/mol
SMILES C1(=CC(=CC(=C1)C1=CC=CC=C1)C=1C=CC=CC1)C1=CC=CC=C1.C([Cr](C#[O])C#[O])#[O]