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(E)-4-(1-CYANOETHYLIDENE)-CYCLOHEPT-2-EN-1-YL-ACETATE
SpectraBase Compound ID XjqpfhsusL
InChI InChI=1S/C12H15NO2/c1-9(8-13)11-4-3-5-12(7-6-11)15-10(2)14/h6-7,12H,3-5H2,1-2H3/b11-9+
InChIKey BSMBYEUECNBKTD-PKNBQFBNSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60t7xuZeXAj
Name (E)-4-(1-CYANOETHYLIDENE)-CYCLOHEPT-2-EN-1-YL-ACETATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-9(8-13)11-4-3-5-12(7-6-11)15-10(2)14/h6-7,12H,3-5H2,1-2H3/b11-9+
InChIKey BSMBYEUECNBKTD-PKNBQFBNSA-N
Literature Reference Author J.B.COTE,T.D.QUACH,A.P.DEMENEV,D.S.GARVEY,J.M.BERMAN
Literature Reference Citation INT.J.MED.CH.,2011,826792(2011)
Molecular Weight 205.257 g/mol
Solvent CDCl3
Source File Reference UWLU976504