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rac-Ethylenbis-(4,5,6,7,8-hexahydroazulen-1-yl)titanium(IV)chloride
SpectraBase Compound ID 9zxlHCwqYYi
InChI InChI=1S/C22H28.2ClH.Ti/c1-3-7-17-11-13-19(21(17)9-5-1)15-16-20-14-12-18-8-4-2-6-10-22(18)20;;;/h11-14H,1-10,15-16H2;2*1H;/q;;;+2/p-2
InChIKey ZPJKRNKGVSLPHV-UHFFFAOYSA-L
Mol Weight 407.21 g/mol
Molecular Formula C22H24Cl2Ti
Exact Mass 406.073447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5Hub9gzRuf
Name rac-Ethylenbis-(4,5,6,7,8-hexahydroazulen-1-yl)titanium(IV)chloride
Appearance Red solid
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Exact Mass 406.073447073 u
Formula C22H24Cl2Ti
InChI InChI=1S/C22H28.2ClH.Ti/c1-3-7-17-11-13-19(21(17)9-5-1)15-16-20-14-12-18-8-4-2-6-10-22(18)20;;;/h11-14H,1-10,15-16H2;2*1H;/q;;;+2/p-2
InChIKey ZPJKRNKGVSLPHV-UHFFFAOYSA-L
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804497
Molecular Weight 407.207 g/mol
Reported Formula C22H28Cl2Ti
SMILES [Ti](Cl)Cl.[C]1[C]([C]2[C]([C]1)CCCCC2)CC[C]1[C][C][C]2[C]1CCCCC2
SPLASH splash10-000i-0029100000-6db7273d75e9ccaff953
Source of Spectrum QE-24-SM9-rac-12 (DOI: 10.1002/chem.201804497)
Wiley ID 1901800