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Titanium(IV) 1(5),3(5),5(5),7(5)-tetra-tert-butyl-3(2),7(2)-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1(2),5(2)-bis(olate) dichloride

View entire compound with spectra: 1 MS (GC)

Titanium(IV) 1(5),3(5),5(5),7(5)-tetra-tert-butyl-3(2),7(2)-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1(2),5(2)-bis(olate) dichloride
SpectraBase Compound ID JmH4dXR6prK
InChI InChI=1S/C46H60O4.2ClH.Ti/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47;;;/h19-26,47-48H,15-18H2,1-14H3;2*1H;/q;;;+4/p-4
InChIKey PAYCWYOZVFHPFN-UHFFFAOYSA-J
Mol Weight 793.7 g/mol
Molecular Formula C46H58Cl2O4Ti
Exact Mass 792.319157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fl8AM7AREXf
Name Titanium(IV) 1(5),3(5),5(5),7(5)-tetra-tert-butyl-3(2),7(2)-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1(2),5(2)-bis(olate) dichloride
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H58Cl2O4Ti
InChI InChI=1S/C46H60O4.2ClH.Ti/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47;;;/h19-26,47-48H,15-18H2,1-14H3;2*1H;/q;;;+4/p-4
InChIKey PAYCWYOZVFHPFN-UHFFFAOYSA-J
Molecular Weight 793.739 g/mol
SMILES c12c(OC)c(cc(c2)C(C)(C)C)Cc2cc(cc(Cc3c(c(cc(c3)C(C)(C)C)Cc3c(c(cc(c3)C(C)(C)C)C1)[O-])OC)c2[O-])C(C)(C)C.[Ti+4].[Cl-].[Cl-]
SPLASH splash10-002f-0000000900-d074647d135488e1522a
Source of Spectrum DZ-625-2158-1
Wiley ID 1798105