For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
tert-butyl-[4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butoxy]-dimethyl-silane
SpectraBase Compound ID Kd45dqc8MVM
InChI InChI=1S/C27H46O3Si/c1-21-13-12-15-23(14-10-11-18-30-31(8,9)26(2,3)4)27(21,5)20-22-19-24(28-6)16-17-25(22)29-7/h15-17,19,21H,10-14,18,20H2,1-9H3/t21-,27+/m1/s1
InChIKey QJCIJIXJZMGGOV-ZBLYBZFDSA-N
Mol Weight 446.7 g/mol
Molecular Formula C27H46O3Si
Exact Mass 446.321622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CHipnvZnOl
Name tert-butyl-[4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butoxy]-dimethyl-silane
Appearance Yellow, viscous oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3Si
GC Oven Program Oven temp 300oC
InChI InChI=1S/C27H46O3Si/c1-21-13-12-15-23(14-10-11-18-30-31(8,9)26(2,3)4)27(21,5)20-22-19-24(28-6)16-17-25(22)29-7/h15-17,19,21H,10-14,18,20H2,1-9H3/t21-,27+/m1/s1
InChIKey QJCIJIXJZMGGOV-ZBLYBZFDSA-N
Instrument Name Agilent HP6890- 5937 N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202105733
Molecular Weight 446.747 g/mol
Optical Rotation [a]D20 = -51 (436 nm), -27 (546 nm), -24 (579 nm), -21 (589 nm) (c = 0.51, CHCl3)
SMILES [C@@]1(C(=CCC[C@]1(C)[H])CCCCO[Si](C(C)(C)C)(C)C)(Cc1c(ccc(c1)OC)OC)C
SPLASH splash10-03di-1900000000-09d1a39636fb8523a55b
Source of Spectrum ACI-60-SM12-16
Thin-Layer Chromatography Rf = 0.42 (c-Hex/EtOAc, 15:1)
Wiley ID 1882562