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Bis(pentamethylcyclopentadienyl-nickel)(.mu.-2-.eta.-3,.eta.-3-perylene)

View entire compound with spectra: 1 MS (GC)

Bis(pentamethylcyclopentadienyl-nickel)(.mu.-2-.eta.-3,.eta.-3-perylene)
SpectraBase Compound ID Hmxp5jhqpIR
InChI InChI=1S/C20H12.2C10H15.2Ni/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;2*1-6-7(2)9(4)10(5)8(6)3;;/h1-12H;2*1-5H3;;
InChIKey SPISKNLBVWNJOP-UHFFFAOYSA-N
Mol Weight 634.1149 g/mol
Molecular Formula C40H36Ni2
Exact Mass 632.152385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hTXrXOfMPK
Name Bis(pentamethylcyclopentadienyl-nickel)(.mu.-2-.eta.-3,.eta.-3-perylene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42Ni2
InChI InChI=1S/C20H12.2C10H15.2Ni/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;2*1-6-7(2)9(4)10(5)8(6)3;;/h1-12H;2*1-5H3;;
InChIKey SPISKNLBVWNJOP-UHFFFAOYSA-N
Molecular Weight 634.115 g/mol
SMILES [Ni].C[C]1[C]([C]([C]([C]1C)C)C)C.c1c2c3c(c4c5c(ccc4)[C][C][C]c5c3[C][C][C]2)cc1.C[C]1[C]([C]([C]([C]1C)C)C)C.[Ni]
SPLASH splash10-0f8i-1549001000-ba61c1976c55661e6d2a
Wiley ID 1492284