| SpectraBase Spectrum ID |
6MH7BqFiUnU |
| Name |
1,1-Bis(.eta.-cyclopentadienyl)-2-tert-butyl-7-methyl-1-zircona-3-phosphaindene |
| Comments |
Note: The molecular formula of the structure shown is C22H26PZr - which differs from the formula reported for the mass spectrum (C22H27PZr) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27PZr |
| InChI |
InChI=1S/C12H16P.2C5H5.Zr/c1-10-6-5-7-11(8-10)13-9-12(2,3)4;2*1-2-4-5-3-1;/h5-7,13H,1-4H3;2*1-5H;/q+1;;; |
| InChIKey |
KLGKIXTWFWKSCA-UHFFFAOYSA-N |
| Molecular Weight |
412.648 g/mol |
| SMILES |
[PH+]=1c2c([Zr]3456789%10(C1C(C)(C)C)([C@]1([C@@]7([C@@]3([C@@]4([C@@]51[H])[H])[H])[H])[H])[C@]1([C@@]%10([C@@]8([C@@]9([C@@]61[H])[H])[H])[H])[H])c(ccc2)C |
| SPLASH |
splash10-03di-0049300000-1f5bbd8ad9488ce4edef |
| Source of Spectrum |
SO-0-668-7 |
| Wiley ID |
873031 |
