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METHYL-(E/Z)-2-CYANO-2-CYCLOPROPYL-2-BUTENOATE
SpectraBase Compound ID 4JrpWBQb9Db
InChI InChI=1S/2C9H11NO2/c2*1-6(7-3-4-7)8(5-10)9(11)12-2/h2*7H,3-4H2,1-2H3/b2*8-6+
InChIKey FMLUSGGGQPCBOG-QBIWIAABSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17MbR2kXZnn
Name METHYL-(E/Z)-2-CYANO-2-CYCLOPROPYL-2-BUTENOATE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/2C9H11NO2/c2*1-6(7-3-4-7)8(5-10)9(11)12-2/h2*7H,3-4H2,1-2H3/b2*8-6+
InChIKey FMLUSGGGQPCBOG-QBIWIAABSA-N
Literature Reference Author H.P.BUCHSTALLER,C.D.SIEBERT,R.H.LYSSY,I.FRANK,A.DURAN,R.GOTT SCHLICH,C.R.NOE
Literature Reference Citation MH.CHEM.,132,279(2001)
Literature Reference DOI 10.1007/s007060170137
Molecular Weight 330.384 g/mol
Solvent CDCl3
Source File Reference UWSI3719