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meso-Propylenbis-(4,5,6,7-tetrahydroinden-3-yl)titanium(IV)chloride
SpectraBase Compound ID 3QQXUivA1YS
InChI InChI=1S/C21H26.2ClH.Ti/c1-3-10-20-16(6-1)12-14-18(20)8-5-9-19-15-13-17-7-2-4-11-21(17)19;;;/h12-15H,1-11H2;2*1H;/q;;;+2/p-2
InChIKey VKYPJQIZOBZCFU-UHFFFAOYSA-L
Mol Weight 393.18 g/mol
Molecular Formula C21H22Cl2Ti
Exact Mass 392.057797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPKU6ZOltcj
Name meso-Propylenbis-(4,5,6,7-tetrahydroinden-3-yl)titanium(IV)chloride
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.057797008 u
Formula C21H22Cl2Ti
InChI InChI=1S/C21H26.2ClH.Ti/c1-3-10-20-16(6-1)12-14-18(20)8-5-9-19-15-13-17-7-2-4-11-21(17)19;;;/h12-15H,1-11H2;2*1H;/q;;;+2/p-2
InChIKey VKYPJQIZOBZCFU-UHFFFAOYSA-L
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804497
Molecular Weight 393.180 g/mol
Quality 12
Reported Formula C21H26Cl2Ti
SMILES C([C]1[C][C][C]2[C]1CCCC2)CC[C]1[C][C][C]2CCCC[C]12.[Ti](Cl)Cl
SPLASH splash10-00di-0009000000-21b97b252f040ebbd99d
Sample Comments Minor isomer
Source of Spectrum QE-24-SM13-S13 (DOI: 10.1002/chem.201804497)
Thin-Layer Chromatography 0.5 (n-pentane/CH2Cl2, 1:1)
Wiley ID 1901812