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3-METHOXY-5-CYANO-4,4-DIMETHOXYCARBONYL-CYCLOHEXENE

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3-METHOXY-5-CYANO-4,4-DIMETHOXYCARBONYL-CYCLOHEXENE
SpectraBase Compound ID DnC5O6HXa9e
InChI InChI=1S/C12H15NO5/c1-16-9-6-4-5-8(7-13)12(9,10(14)17-2)11(15)18-3/h4,6,8-9H,5H2,1-3H3/t8-,9?/m0/s1
InChIKey XPNPHDBFUBUONE-IENPIDJESA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIX99QfwOVQ
Name 3-METHOXY-5-CYANO-4,4-DIMETHOXYCARBONYL-CYCLOHEXENE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-16-9-6-4-5-8(7-13)12(9,10(14)17-2)11(15)18-3/h4,6,8-9H,5H2,1-3H3/t8-,9?/m0/s1
InChIKey XPNPHDBFUBUONE-IENPIDJESA-N
Literature Reference Author R.SUSTMANN,S.TAPPANCHAI,H.BANDMANN
Literature Reference Citation J.AM.CHEM.SOC.,118,12555(1996)
Literature Reference DOI 10.1021/ja961390l
Molecular Weight 253.255 g/mol
Sample ID 35560
Solvent CDCl3