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E-2-Chloro-2-phenyl-3-neopentyl[5,6:7,8]dibenzo-2-silabicyclo[2.2.2]octane
SpectraBase Compound ID 3pz1kItoZSe
InChI InChI=1S/C26H27ClSi/c1-26(2,3)17-23-24-19-13-7-9-15-21(19)25(22-16-10-8-14-20(22)24)28(23,27)18-11-5-4-6-12-18/h4-16,23-25H,17H2,1-3H3/t23?,24-,25+,28-/m0/s1
InChIKey KOIKTRMJKNTEGN-ILAPFZNCSA-N
Mol Weight 403.04 g/mol
Molecular Formula C26H27ClSi
Exact Mass 402.157055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0hstYDdfEN
Name E-2-Chloro-2-phenyl-3-neopentyl[5,6:7,8]dibenzo-2-silabicyclo[2.2.2]octane
Alternate Name(s) 15-chloro-16-neopentyl-15-phenyl-15-silatetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27ClSi
InChI InChI=1S/C26H27ClSi/c1-26(2,3)17-23-24-19-13-7-9-15-21(19)25(22-16-10-8-14-20(22)24)28(23,27)18-11-5-4-6-12-18/h4-16,23-25H,17H2,1-3H3/t23?,24-,25+,28-/m0/s1
InChIKey KOIKTRMJKNTEGN-ILAPFZNCSA-N
Molecular Weight 403.040 g/mol
SMILES [C@]12([Si@@](C([C@](c3ccccc23)(c2ccccc12)[H])CC(C)(C)C)(c1ccccc1)Cl)[H]
SPLASH splash10-016r-0900000000-ad11adc6b85d1ac301aa
Source of Spectrum QB-12-520-3
Wiley ID 840943