| SpectraBase Spectrum ID |
74Sb5Pfj7zU |
| Name |
[Titanium{2,2'-bis(O-4,6-tert-butylmethylphenyl)methyl}di(O-methyl)calix[4]tert-butylbenzene] |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C69H94O6Ti |
| InChI |
InChI=1S/C35H48O3.C12H18O.2C11H15O.Ti/c1-22-15-28(34(5,6)7)21-26(32(22)38-12)17-25-20-29(35(8,9)10)19-24(31(25)36)16-23-18-27(33(2,3)4)13-14-30(23)37-11;1-8-6-10(12(3,4)5)7-9(2)11(8)13;2*1-11(2,3)10-6-4-9(8-12)5-7-10;/h13-15,18-21,36H,16-17H2,1-12H3;6-7,13H,1-5H3;2*4-7H,8H2,1-3H3;/q;;2*-1;+4/p-2 |
| InChIKey |
HMDYQMZTBNGYCF-UHFFFAOYSA-L |
| Molecular Weight |
1067.372 g/mol |
| SMILES |
c12[O]([Ti]3(Oc4c(Cc2cc(cc1C)C(C)(C)C)cc(cc4Cc1c([O]3C)ccc(C(C)(C)C)c1)C(C)(C)C)(Oc1c(cc(cc1C)C(C)(C)C)C)(OCc1ccc(C(C)(C)C)cc1)OCc1ccc(C(C)(C)C)cc1)C |
| SPLASH |
splash10-00di-0000000900-43f7ff593ded56035df4 |
| Source of Spectrum |
QF-9-3651-20 |
| Wiley ID |
1558683 |
![[Titanium{2,2'-bis(O-4,6-tert-butylmethylphenyl)methyl}di(O-methyl)calix[4]tert-butylbenzene]](/api/spectrum/74Sb5Pfj7zU/structure.png?h=300&w=458 "[Titanium{2,2'-bis(O-4,6-tert-butylmethylphenyl)methyl}di(O-methyl)calix[4]tert-butylbenzene]")
