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

*Links on SpectraBase are not permalinks.
4-{1'-[4"-(t-Butyldiphenylsilyl)oxy]butyl}-4,8,11,11-tetramethyl-2-(phenymethoxy)bicyclo[5.3.1]undec-7-en-3-one
SpectraBase Compound ID t3EV4bsatF
InChI InChI=1S/C42H56O3Si/c1-32-25-26-37-38(44-31-33-19-11-8-12-20-33)39(43)42(7,29-27-36(32)41(37,5)6)28-17-18-30-45-46(40(2,3)4,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-16,19-24,37-38H,17-18,25-31H2,1-7H3/t37-,38+,42-/m1/s1
InChIKey WWARLKCVCZTJDH-WJOYEMEZSA-N
Mol Weight 637.0 g/mol
Molecular Formula C42H56O3Si
Exact Mass 636.399872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7xqddZyhszM
Name 4-{1'-[4''-(T-butyldiphenylsilyl)oxy]butyl}-4,8,11,11-tetramethyl-2-(phenymethoxy)bicyclo[5.3.1]undec-7-en-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 636.399872195 u
Formula C42H56O3Si
InChI InChI=1S/C42H56O3Si/c1-32-25-26-37-38(44-31-33-19-11-8-12-20-33)39(43)42(7,29-27-36(32)41(37,5)6)28-17-18-30-45-46(40(2,3)4,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-16,19-24,37-38H,17-18,25-31H2,1-7H3/t37-,38+,42-/m1/s1
InChIKey WWARLKCVCZTJDH-WJOYEMEZSA-N
Molecular Weight 636.992 g/mol
SMILES C1(C2=C(C)CC[C@@]1([C@@](C([C@@](CCCCO[Si](C(C)(C)C)(C1=CC=CC=C1)C=1C=CC=CC1)(C)CC2)=O)(OCC1=CC=CC=C1)[H])[H])(C)C