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(E)-4-cyano-3-(4-fluorophenyl)-2-butenoic acid ethyl ester
SpectraBase Compound ID 1Y6Tgeivu24
InChI InChI=1S/C13H12FNO2/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 IIDWKQQQCTYBOS-PKNBQFBNSA-N
Mol Weight 233.24 g/mol
Molecular Formula C13H12FNO2
Exact Mass 233.085207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12H3nkhDUIn
Name (E)-4-CYANO-3-(4-FLUOROPHENYL)-2-BUTENOIC-ACID-ETHYLESTER
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12FNO2
InChI InChI=1S/C13H12FNO2/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 IIDWKQQQCTYBOS-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 233.242 g/mol
Solvent CDCl3
Source File Reference UWIR9160