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Cobalt, (.eta.-4-tetraphenylcyclobutadiene)-[.eta.-5-2-(di-t-butylphosphino)ethylcyclopentadienyl]-

View entire compound with spectra: 2 MS (GC)

Cobalt, (.eta.-4-tetraphenylcyclobutadiene)-[.eta.-5-2-(di-t-butylphosphino)ethylcyclopentadienyl]-
SpectraBase Compound ID 627mXMK7cfW
InChI InChI=1S/10C41H38P.10Co/c2*1-40(2,3)42(28-27-29-17-14-15-18-29)41(4)34-26-16-25-33(39(34)41)38-36(31-21-10-6-11-22-31)35(30-19-8-5-9-20-30)37(38)32-23-12-7-13-24-32;1-40(2,3)42(28-27-29-17-14-15-18-29)41(4)33-25-16-26-34(41)38(33)39-36(31-21-10-6-11-22-31)35(30-19-8-5-9-20-30)37(39)32-23-12-7-13-24-32;1-40(2,3)42(25-24-29-16-14-15-17-29)41(4)34-26-33(27-35(41)28-34)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;2*1-40(2,3)42(27-26-29-16-14-15-17-29)41(4)33-24-25-35(41)34(28-33)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;2*1-40(2,3)42(27-26-29-16-14-15-17-29)41(4)33-24-25-34(35(41)28-33)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;2*1-40(2,3)42(27-26-29-16-14-15-17-29)41(4)34-25-24-33(28-35(34)41)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;;;;;;;;;;/h3*5-26H,27-28H2,1-4H3;5-23,26-28H,24-25H2,1-4H3;6*5-25,28H,26-27H2,1-4H3;;;;;;;;;;
InChIKey DRGQZRVOVHUEAY-UHFFFAOYSA-N
Mol Weight 616.6 g/mol
Molecular Formula C41H34CoP
Exact Mass 616.173007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ifVdLUIeg6
Name Cobalt, (.eta.-4-tetraphenylcyclobutadiene)-[.eta.-5-2-(di-t-butylphosphino)ethylcyclopentadienyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H46CoP
InChI InChI=1S/10C41H38P.10Co/c2*1-40(2,3)42(28-27-29-17-14-15-18-29)41(4)34-26-16-25-33(39(34)41)38-36(31-21-10-6-11-22-31)35(30-19-8-5-9-20-30)37(38)32-23-12-7-13-24-32;1-40(2,3)42(28-27-29-17-14-15-18-29)41(4)33-25-16-26-34(41)38(33)39-36(31-21-10-6-11-22-31)35(30-19-8-5-9-20-30)37(39)32-23-12-7-13-24-32;1-40(2,3)42(25-24-29-16-14-15-17-29)41(4)34-26-33(27-35(41)28-34)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;2*1-40(2,3)42(27-26-29-16-14-15-17-29)41(4)33-24-25-35(41)34(28-33)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;2*1-40(2,3)42(27-26-29-16-14-15-17-29)41(4)33-24-25-34(35(41)28-33)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;2*1-40(2,3)42(27-26-29-16-14-15-17-29)41(4)34-25-24-33(28-35(34)41)39-37(31-20-10-6-11-21-31)36(30-18-8-5-9-19-30)38(39)32-22-12-7-13-23-32;;;;;;;;;;/h3*5-26H,27-28H2,1-4H3;5-23,26-28H,24-25H2,1-4H3;6*5-25,28H,26-27H2,1-4H3;;;;;;;;;;
InChIKey DRGQZRVOVHUEAY-UHFFFAOYSA-N
Molecular Weight 616.630 g/mol
SMILES CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2c1c([C]1[C](c3ccccc3)[C]([C]1c1ccccc1)c1ccccc1)ccc2.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2cc1c([C]1[C](c3ccccc3)[C]([C]1c1ccccc1)c1ccccc1)cc2.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2ccc1c([C]1[C](c3ccccc3)[C]([C]1c1ccccc1)c1ccccc1)c2.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2cccc1c2[C]1[C](c2ccccc2)[C]([C]1c1ccccc1)c1ccccc1.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2c1cc([C]1[C](c3ccccc3)[C]([C]1c1ccccc1)c1ccccc1)cc2.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2cc1cc([C]1[C](c3ccccc3)[C]([C]1c1ccccc1)c1ccccc1)c2.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2ccc1cc2[C]1[C](c2ccccc2)[C]([C]1c1ccccc1)c1ccccc1.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2c1ccc([C]1[C](c3ccccc3)[C]([C]1c1ccccc1)c1ccccc1)c2.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2cc1ccc2[C]1[C](c2ccccc2)[C]([C]1c1ccccc1)c1ccccc1.CC1([P-](CC[C]2[C][C][C][C]2)(C(C)(C)C)[Co+])c2c1cccc2[C]1[C](c2ccccc2)[C]([C]1c1ccccc1)c1ccccc1
SPLASH splash10-1000-2130449000-e4db10fc195221a29ac3
Source of Spectrum K-126-1668-36
Wiley ID 1413240