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3-[(1S*,2R*)-2-ETHOXYCARBONYL-2-(TRIISOPROPYLSILYLMETHYL)-CYCLOHEX-5-ENYL]-PROPANOIC-ACID
SpectraBase Compound ID 9yxZ1NMwerk
InChI InChI=1S/C22H40O5Si/c1-8-26-21(25)22(14-10-9-11-19(22)12-13-20(23)24)15-27-28(16(2)3,17(4)5)18(6)7/h9,11,16-19H,8,10,12-15H2,1-7H3,(H,23,24)/t19-,22+/m1/s1
InChIKey SBVFBMNAUFEIOS-KNQAVFIVSA-N
Mol Weight 412.6 g/mol
Molecular Formula C22H40O5Si
Exact Mass 412.264501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRHO0AgMhk1
Name 3-[(1S*,2R*)-2-ETHOXYCARBONYL-2-(TRIISOPROPYLSILYLMETHYL)-CYCLOHEX-5-ENYL]-PROPANOIC-ACID
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40O5Si
InChI InChI=1S/C22H40O5Si/c1-8-26-21(25)22(14-10-9-11-19(22)12-13-20(23)24)15-27-28(16(2)3,17(4)5)18(6)7/h9,11,16-19H,8,10,12-15H2,1-7H3,(H,23,24)/t19-,22+/m1/s1
InChIKey SBVFBMNAUFEIOS-KNQAVFIVSA-N
Literature Reference Author L.C.BAILLIE,J.R.BEARDER,W.S.LI,J.A.SHERRINGHAM,D.A.WHITING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,4047(1998)
Literature Reference DOI 10.1039/a807760f
Molecular Weight 412.642 g/mol
Solvent CDCl3