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2-propenoic acid, 2-cyano-3-[(4-fluorophenyl)amino]-, ethyl ester,(2E)-
SpectraBase Compound ID EqfFJNwYtzZ
InChI InChI=1S/C12H11FN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8,15H,2H2,1H3/b9-8+
InChIKey ZOKKIXIAQHYRFY-CMDGGOBGSA-N
Mol Weight 234.23 g/mol
Molecular Formula C12H11FN2O2
Exact Mass 234.080456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfhbD2h2VY7
Name 2-propenoic acid, 2-cyano-3-[(4-fluorophenyl)amino]-, ethyl ester,(2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.080455763 u
Formula C12H11FN2O2
InChI InChI=1S/C12H11FN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8,15H,2H2,1H3/b9-8+
InChIKey ZOKKIXIAQHYRFY-CMDGGOBGSA-N
Molecular Weight 234.230 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8086
Solvent DMSO-d6
Source Vendor ID: NMR/9291103; Lab Info: LP; Lab Number: LP-0101693
Temperature 29.85 °C