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Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-alpha,alpha,alpha',alpha'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium
SpectraBase Compound ID FCXGQq6XqOw
InChI InChI=1S/C31H28O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28H,1-2H3;1-5H;1H;/q-2;;;+3/p-1/t27-,28-;;;/m1.../s1
InChIKey SRQWDHBFPMRGFY-CRMRIEQBSA-M
Mol Weight 613.0 g/mol
Molecular Formula C36H33ClO4Ti
Exact Mass 612.154678 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7SsApqmiEfG
Name Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-alpha,alpha,alpha',alpha'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium
Source of Sample Aldrich
Catalog Number 449520
CAS Registry Number 132068-98-5
Classification Organometallic and arsenic compounds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H33ClO4Ti
InChI InChI=1S/C31H28O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28H,1-2H3;1-5H;1H;/q-2;;;+3/p-1/t27-,28-;;;/m1.../s1
InChIKey SRQWDHBFPMRGFY-CRMRIEQBSA-M
Purity 97%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (4R,5R)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium (R,R)-Duthaler-Hafner reagent [(4R,5R)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitanium
Technique Mull
Wiley ID SIAL_FTIR_1_8339