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(5SR,6Z)-2,2,6-TRIMETHYL-8-(METHYLSULFONYL)-5-[(RS)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-OCT-6-EN-3-ONE
SpectraBase Compound ID 5mk45ulMuup
InChI InChI=1S/C29H48O4S/c1-18(2)23-15-24(19(3)4)28(25(16-23)20(5)6)22(8)33-26(17-27(30)29(9,10)11)21(7)13-14-34(12,31)32/h13,15-16,18-20,22,26H,14,17H2,1-12H3/b21-13-/t22?,26-/m0/s1
InChIKey SVMLSYHDIFPWND-PJDCWEDZSA-N
Mol Weight 492.8 g/mol
Molecular Formula C29H48O4S
Exact Mass 492.327331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtuSkwDj5S
Name (5SR,6Z)-2,2,6-TRIMETHYL-8-(METHYLSULFONYL)-5-[(RS)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-OCT-6-EN-3-ONE
Compound Number (1'RS,5SR)-77
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O4S
InChI InChI=1S/C29H48O4S/c1-18(2)23-15-24(19(3)4)28(25(16-23)20(5)6)22(8)33-26(17-27(30)29(9,10)11)21(7)13-14-34(12,31)32/h13,15-16,18-20,22,26H,14,17H2,1-12H3/b21-13-/t22?,26-/m0/s1
InChIKey SVMLSYHDIFPWND-PJDCWEDZSA-N
Literature Reference Author V.NARKEVITCH,S.MEGEVAND,K.SCHENK,P.VOGEL
Literature Reference Citation J.ORG.CHEM.,66,5080(2001)
Literature Reference DOI 10.1021/jo0101712
Molecular Weight 492.758 g/mol
Solvent CDCl3
Source File Reference UWLU27144