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3-(adamantan-1-yl)-5-methoxy-4-((trimethylsilyl)methyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID 27AVCzM4aEh
InChI InChI=1S/C22H31F3O4SSi/c1-28-20-9-17(29-30(26,27)22(23,24)25)8-19(18(20)13-31(2,3)4)21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16H,5-7,10-13H2,1-4H3
InChIKey DQBNYPVWHBXTMN-UHFFFAOYSA-N
Mol Weight 476.63 g/mol
Molecular Formula C22H31F3O4SSi
Exact Mass 476.166442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Dm2DZxoP3l
Name 3-(adamantan-1-yl)-5-methoxy-4-((trimethylsilyl)methyl)phenyl trifluoromethanesulfonate
Appearance Colorless oil
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Formula C22H31F3O4SSi
InChI InChI=1S/C22H31F3O4SSi/c1-28-20-9-17(29-30(26,27)22(23,24)25)8-19(18(20)13-31(2,3)4)21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16H,5-7,10-13H2,1-4H3
InChIKey DQBNYPVWHBXTMN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202001326
Molecular Weight 476.626 g/mol
Reported Formula C22H31F3O4SSi
SMILES c1(cc(c(c(c1)C12CC3CC(CC(C3)C1)C2)C[Si](C)(C)C)OC)OS(C(F)(F)F)(=O)=O
SPLASH splash10-00dl-9034300000-0eedd52e17374d69f6ef
Source of Spectrum ACI-59-SM18-10b
Thin-Layer Chromatography Rf = 0.34 (Hexane/DCM, 10:1)
Wiley ID 1857861