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(1R,3AS,4S,7AS)-3-IODO-2-(Z)-[2-(1-TERT.-BUTOXY-7A-METHYL-2,3,3A,4,7,7A-HEXAHYDRO-1H-INDEN-4-YL)-ETHENYL]-THIOPHENE
SpectraBase Compound ID 29qre3ZZpoU
InChI InChI=1S/C20H27IOS/c1-19(2,3)22-18-10-8-15-14(6-5-12-20(15,18)4)7-9-17-16(21)11-13-23-17/h5-7,9,11,13-15,18H,8,10,12H2,1-4H3/b9-7-/t14-,15-,18-,20-/m0/s1
InChIKey GRJUXCZFPXMPGF-PXHXLVMESA-N
Mol Weight 442.4 g/mol
Molecular Formula C20H27IOS
Exact Mass 442.082732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWvQXPXTzOC
Name (1R,3AS,4S,7AS)-3-IODO-2-(Z)-[2-(1-TERT.-BUTOXY-7A-METHYL-2,3,3A,4,7,7A-HEXAHYDRO-1H-INDEN-4-YL)-ETHENYL]-THIOPHENE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27IOS
InChI InChI=1S/C20H27IOS/c1-19(2,3)22-18-10-8-15-14(6-5-12-20(15,18)4)7-9-17-16(21)11-13-23-17/h5-7,9,11,13-15,18H,8,10,12H2,1-4H3/b9-7-/t14-,15-,18-,20-/m0/s1
InChIKey GRJUXCZFPXMPGF-PXHXLVMESA-N
Literature Reference Author L.F.TIETZE,L.P.LUECKE,F.MAJOR,P.MUELLER
Literature Reference Citation AUSTR.J.CHEM.,57,635(2004)
Literature Reference DOI 10.1071/CH04034
Molecular Weight 442.398 g/mol
Solvent CDCl3
Source File Reference UWVN7632