Tris-{(M)-2-[1-(2'-oxy-4',6'-dimethylphenyl)chlorotitanium]naphthylmethyl}amine

SpectraBase Compound ID	8EROYcPFEbb
InChI	InChI=1S/C57H51NO3.ClH.Ti/c1-34-25-37(4)52(49(59)28-34)55-43(22-19-40-13-7-10-16-46(40)55)31-58(32-44-23-20-41-14-8-11-17-47(41)56(44)53-38(5)26-35(2)29-50(53)60)33-45-24-21-42-15-9-12-18-48(42)57(45)54-39(6)27-36(3)30-51(54)61;;/h7-30,59-61H,31-33H2,1-6H3;1H;/q;;+4/p-4
InChIKey	PZAPYWSTTDKQKF-UHFFFAOYSA-J Google Search
Mol Weight	878.3 g/mol
Molecular Formula	C57H48ClNO3Ti
Exact Mass	877.280213 g/mol

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SpectraBase Spectrum ID	G4dTZu6D2F1
Name	Tris-{(M)-2-[1-(2'-oxy-4',6'-dimethylphenyl)chlorotitanium]naphthylmethyl}amine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C57H48ClNO3Ti
InChI	InChI=1S/C57H51NO3.ClH.Ti/c1-34-25-37(4)52(49(59)28-34)55-43(22-19-40-13-7-10-16-46(40)55)31-58(32-44-23-20-41-14-8-11-17-47(41)56(44)53-38(5)26-35(2)29-50(53)60)33-45-24-21-42-15-9-12-18-48(42)57(45)54-39(6)27-36(3)30-51(54)61;;/h7-30,59-61H,31-33H2,1-6H3;1H;/q;;+4/p-4
InChIKey	PZAPYWSTTDKQKF-UHFFFAOYSA-J
Molecular Weight	878.335 g/mol
SMILES	c12O[Ti]3(Oc4c(-c5c(CN(Cc6c(-c2c(C)cc(c1)C)c1c(cc6)cccc1)Cc1c(-c2c(O3)cc(cc2C)C)c2c(cc1)cccc2)ccc1c5cccc1)c(cc(c4)C)C)Cl
SPLASH	splash10-03di-0090000000-f8dbffadaa70a950f4dc
Source of Spectrum	KD-14-2227-7
Wiley ID	1636220