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Nickelocene, 1,2,3,4,5-pentaphenyl-

View entire compound with spectra: 2 MS (GC)

Nickelocene, 1,2,3,4,5-pentaphenyl-
SpectraBase Compound ID 5DRM4eF97R8
InChI InChI=1S/C35H25.C5H5.Ni/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-2-4-5-3-1;/h1-25H;1-5H;
InChIKey NUXNEAOGVYJUOI-UHFFFAOYSA-N
Mol Weight 564.33 g/mol
Molecular Formula C40H25Ni
Exact Mass 563.130968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV2AV51GqUC
Name Nickelocene, 1,2,3,4,5-pentaphenyl-
CAS Registry Number 100189-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H30Ni
InChI InChI=1S/C35H25.C5H5.Ni/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-2-4-5-3-1;/h1-25H;1-5H;
InChIKey NUXNEAOGVYJUOI-UHFFFAOYSA-N
Molecular Weight 564.333 g/mol
SMILES [Ni].c1ccc([C]2[C]([C]([C](c3ccccc3)[C]2c2ccccc2)c2ccccc2)c2ccccc2)cc1.[C]1[C][C][C][C]1
SPLASH splash10-014i-4687290000-0ff651d6f89d53110073
Wiley ID 1496803