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(1R,3AS,4S,7AS)-3-BROMO-2-(Z)-[2-(1-TERT.-BUTOXY-7A-METHYL-2,3,3A,4,7,7A-HEXAHYDRO-1H-INDEN-4-YL)-ETHENYL]-THIOPHENE
SpectraBase Compound ID H4KuFEU4hyl
InChI InChI=1S/C20H27BrOS/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 DOYUGYUJESREMM-PXHXLVMESA-N
Mol Weight 395.4 g/mol
Molecular Formula C20H27BrOS
Exact Mass 394.0966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IE1ZKPuxnHB
Name (1R,3AS,4S,7AS)-3-BROMO-2-(Z)-[2-(1-TERT.-BUTOXY-7A-METHYL-2,3,3A,4,7,7A-HEXAHYDRO-1H-INDEN-4-YL)-ETHENYL]-THIOPHENE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27BrOS
InChI InChI=1S/C20H27BrOS/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 DOYUGYUJESREMM-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 395.398 g/mol
Solvent CDCl3
Source File Reference UWVN7630