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rac-Ethylenbis-(4,5,6-tetrahydrobenzoazulen-3-yl)titanium(IV)chloride
SpectraBase Compound ID EFgmg3mbyzi
InChI InChI=1S/C30H28.2ClH.Ti/c1-3-11-25-21(7-1)9-5-13-27-23(17-19-29(25)27)15-16-24-18-20-30-26-12-4-2-8-22(26)10-6-14-28(24)30;;;/h1-4,7-8,11-12,17-20H,5-6,9-10,13-16H2;2*1H;/q;;;+2/p-2
InChIKey LKKZKGJJAXHULV-UHFFFAOYSA-L
Mol Weight 503.3 g/mol
Molecular Formula C30H24Cl2Ti
Exact Mass 502.073447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E34l205RhsI
Name rac-Ethylenbis-(4,5,6-tetrahydrobenzoazulen-3-yl)titanium(IV)chloride
Appearance Dark red solid
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Exact Mass 502.073447073 u
Formula C30H24Cl2Ti
InChI InChI=1S/C30H28.2ClH.Ti/c1-3-11-25-21(7-1)9-5-13-27-23(17-19-29(25)27)15-16-24-18-20-30-26-12-4-2-8-22(26)10-6-14-28(24)30;;;/h1-4,7-8,11-12,17-20H,5-6,9-10,13-16H2;2*1H;/q;;;+2/p-2
InChIKey LKKZKGJJAXHULV-UHFFFAOYSA-L
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804497
Molecular Weight 503.295 g/mol
Reported Formula C30H28Cl2Ti
SMILES [C]1[C]([C]2[C]([C]1)C1=C(CCC2)C=CC=C1)CC[C]1[C]2[C]([C][C]1)C1=C(CCC2)C=CC=C1.[Ti](Cl)Cl
SPLASH splash10-001i-0000910000-0bb9d636ebe13a459fea
Source of Spectrum QE-24-SM15-rac-18 (DOI: 10.1002/chem.201804497)
Thin-Layer Chromatography 0.4 (n-pentane/CH2Cl2, 1:1)
Wiley ID 1901803