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(E)-14-METHOXY-[3-(TRIISOPROPYLSILYL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
SpectraBase Compound ID 3iu2SLL0x3q
InChI InChI=1S/C28H42O3Si/c1-21(2)32(22(3)4,23(5)6)20-14-18-25-17-12-10-8-9-11-15-24-16-13-19-26(30-7)27(24)28(29)31-25/h9,11,13,16,19,21-23,25H,8,10,12,15,17-18H2,1-7H3/b11-9+/t25-/m1/s1
InChIKey XHZBQQRGRQGPDA-VMQHTIDMSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H42O3Si
Exact Mass 454.290322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mn4EHxomoY
Name (E)-14-METHOXY-[3-(TRIISOPROPYLSILYL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O3Si
InChI InChI=1S/C28H42O3Si/c1-21(2)32(22(3)4,23(5)6)20-14-18-25-17-12-10-8-9-11-15-24-16-13-19-26(30-7)27(24)28(29)31-25/h9,11,13,16,19,21-23,25H,8,10,12,15,17-18H2,1-7H3/b11-9+/t25-/m1/s1
InChIKey XHZBQQRGRQGPDA-VMQHTIDMSA-N
Literature Reference Author C.HERB,F.DETTNER,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,728(2005)
Molecular Weight 454.725 g/mol
Sample ID 42366
Solvent CDCl3