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(E)-4-CYANO-3-(4-CHLOROPHENYL)-2-BUTENOIC-ACID-ETHYLESTER
SpectraBase Compound ID 3BS2JQW0MOS
InChI InChI=1S/C13H12ClNO2/c1-2-17-13(16)9-11(7-8-15)10-3-5-12(14)6-4-10/h3-6,9H,2,7H2,1H3/b11-9+
InChIKey VUXMWAYAXQEQDG-PKNBQFBNSA-N
Mol Weight 249.7 g/mol
Molecular Formula C13H12ClNO2
Exact Mass 249.055656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80pOfdC00fA
Name (E)-4-CYANO-3-(4-CHLOROPHENYL)-2-BUTENOIC-ACID-ETHYLESTER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClNO2
InChI InChI=1S/C13H12ClNO2/c1-2-17-13(16)9-11(7-8-15)10-3-5-12(14)6-4-10/h3-6,9H,2,7H2,1H3/b11-9+
InChIKey VUXMWAYAXQEQDG-PKNBQFBNSA-N
Literature Reference Author M.I.ATTIA,C.HERDEIS,H.BRAEUNER-OSBORNE
Literature Reference Citation MOLECULES,18,10266(2013)
Literature Reference DOI 10.3390/molecules180910266
Molecular Weight 249.697 g/mol
Solvent CDCl3
Source File Reference UWIR9156