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METHYL-4-[(1S,2S)-2-[(1R)-1-BENZYLOXYETHYL]-1-METHYLCYCLOBUTYL]-1,3-CYCLOHEXADIENE-1-CARBOXYLATE
SpectraBase Compound ID CAIq9Uyjhwj
InChI InChI=1S/C22H28O3/c1-16(25-15-17-7-5-4-6-8-17)20-13-14-22(20,2)19-11-9-18(10-12-19)21(23)24-3/h4-9,11,16,20H,10,12-15H2,1-3H3/t16-,20+,22+/m1/s1
InChIKey LNQHJORCTMCFKB-BUVFEPMLSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxjLzBUP7OQ
Name METHYL-4-[(1S,2S)-2-[(1R)-1-BENZYLOXYETHYL]-1-METHYLCYCLOBUTYL]-1,3-CYCLOHEXADIENE-1-CARBOXYLATE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-16(25-15-17-7-5-4-6-8-17)20-13-14-22(20,2)19-11-9-18(10-12-19)21(23)24-3/h4-9,11,16,20H,10,12-15H2,1-3H3/t16-,20+,22+/m1/s1
InChIKey LNQHJORCTMCFKB-BUVFEPMLSA-N
Literature Reference Author S.PARES,R.ALIBES,M.FIGUEREDO,J.FONT,T.PARELLA
Literature Reference Citation EUR.J.ORG.CHEM.,2012,1404(2012)
Literature Reference DOI 10.1002/ejoc.201101614
Molecular Weight 340.463 g/mol
Solvent CDCl3
Source File Reference UWLU84696