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ETHYL-(E)-5-(1-METHYL-3-OXOCYCLOHEXYL)-2-PENTENOATE
SpectraBase Compound ID 3mectpZ8phq
InChI InChI=1S/C14H22O3/c1-3-17-13(16)8-4-5-9-14(2)10-6-7-12(15)11-14/h4,8H,3,5-7,9-11H2,1-2H3/b8-4+
InChIKey LJYXSXOYWSOVJP-XBXARRHUSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4h0uQlpvXn
Name ETHYL-(E)-5-(1-METHYL-3-OXOCYCLOHEXYL)-2-PENTENOATE
CAS Registry Number 139017-52-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-3-17-13(16)8-4-5-9-14(2)10-6-7-12(15)11-14/h4,8H,3,5-7,9-11H2,1-2H3/b8-4+
InChIKey LJYXSXOYWSOVJP-XBXARRHUSA-N
Literature Reference Author B.CHENERA,C.P.CHUANG,D.J.HART,C.S.LAI
Literature Reference Citation J.ORG.CHEM.,57,2018(1992)
Literature Reference DOI 10.1021/jo00033a023
Molecular Weight 238.327 g/mol
Solvent CDCl3
Source File Reference UWCS2318