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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
Mol Weight 444.79 g/mol
Molecular Formula C23H25ClN2O2Ti
Exact Mass 444.108397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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
Synonyms 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
Wiley ID 1385948