2-Chloro-2-[.eta.(5)-cyclopentadienyl]-1,3-bis(4-methoxyphenyl)-4,5-dimethyl-1,3-diaza-2-titana-4-cyclopentene

SpectraBase Compound ID	CfXfyxbNOvo
InChI	InChI=1S/C18H20N2O2.C5H5.ClH.Ti/c1-13(19-15-5-9-17(21-3)10-6-15)14(2)20-16-7-11-18(22-4)12-8-16;1-2-4-5-3-1;;/h5-12H,1-4H3;1-5H;1H;/q-2;;;+3/p-1/b14-13-;;;
InChIKey	RZVRSTHZMIUGDF-JRYLAINFSA-M Google Search
Mol Weight	444.79 g/mol
Molecular Formula	C23H25ClN2O2Ti
Exact Mass	444.108397 g/mol

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SpectraBase Spectrum ID	GVPBoOU7UIJ
Name	2-Chloro-2-[.eta.(5)-cyclopentadienyl]-1,3-bis(4-methoxyphenyl)-4,5-dimethyl-1,3-diaza-2-titana-4-cyclopentene
Alternate Name(s)	1-Chloro-2,5-bis(4-methoxyphenyl)-3,4-dimethyl-2,5-diaza-1-titanaspiro[cyclopentane-1,1'-pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan]-3-ene
CAS Registry Number	131322-86-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H25ClN2O2Ti
InChI	InChI=1S/C18H20N2O2.C5H5.ClH.Ti/c1-13(19-15-5-9-17(21-3)10-6-15)14(2)20-16-7-11-18(22-4)12-8-16;1-2-4-5-3-1;;/h5-12H,1-4H3;1-5H;1H;/q-2;;;+3/p-1/b14-13-;;;
InChIKey	RZVRSTHZMIUGDF-JRYLAINFSA-M
Molecular Weight	444.785 g/mol
SMILES	[C@]12([Ti]3456([C@]2([C@@]6([C@@]4([C@]13[H])[H])[H])[H])(N(C(C)=C(N5c1ccc(cc1)OC)C)c1ccc(cc1)OC)Cl)[H]
SPLASH	splash10-0007-2600900000-ad8712fb70e7ec535119
Source of Spectrum	K-124-1038-3
Wiley ID	1385948