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tert-butyl-[6-methoxy-5,7,8-trimethyl-1'-[(2S,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-yl]oxy-dimethyl-silane

View entire compound with spectra: 1 MS (GC)

tert-butyl-[6-methoxy-5,7,8-trimethyl-1'-[(2S,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-yl]oxy-dimethyl-silane
SpectraBase Compound ID CWqGvLuj0nK
InChI InChI=1S/C36H64O3Si/c1-25(2)16-14-17-26(3)18-15-19-27(4)22-36(39-40(12,13)34(8,9)10)23-35(24-36)21-20-31-30(7)32(37-11)28(5)29(6)33(31)38-35/h25-27H,14-24H2,1-13H3/t26-,27+,35?,36?/m1/s1
InChIKey PFIYCBRYPXIMFK-BWFTUQMESA-N
Mol Weight 573.0 g/mol
Molecular Formula C36H64O3Si
Exact Mass 572.462472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB9vZyV3b5Y
Name tert-butyl-[6-methoxy-5,7,8-trimethyl-1'-[(2S,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-yl]oxy-dimethyl-silane
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Formula C36H64O3Si
InChI InChI=1S/C36H64O3Si/c1-25(2)16-14-17-26(3)18-15-19-27(4)22-36(39-40(12,13)34(8,9)10)23-35(24-36)21-20-31-30(7)32(37-11)28(5)29(6)33(31)38-35/h25-27H,14-24H2,1-13H3/t26-,27+,35?,36?/m1/s1
InChIKey PFIYCBRYPXIMFK-BWFTUQMESA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900564
Molecular Weight 572.990 g/mol
Optical Rotation [a]D20 = 1.63 (589 nm)
SMILES COc1c(C)c(C)c2OC3(CC(O[Si](C)(C)C(C)(C)C)(C[C@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C3)CCc2c1C
SPLASH splash10-014i-1090000000-8854ea7f19c7c1f842cf
Source of Spectrum QE-25-SM31-dia-S5
Thin-Layer Chromatography Rf = 0.49 (SiO2, cHex/EtOAc, 40:1)
Wiley ID 1848544