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benzoic acid, 2-[[(2E)-3-[5-(3-chlorophenyl)-2-furanyl]-2-cyano-1-oxo-2-propenyl]amino]-, ethyl ester
SpectraBase Compound ID 4I2p8ac12lr
InChI InChI=1S/C23H17ClN2O4/c1-2-29-23(28)19-8-3-4-9-20(19)26-22(27)16(14-25)13-18-10-11-21(30-18)15-6-5-7-17(24)12-15/h3-13H,2H2,1H3,(H,26,27)/b16-13+
InChIKey ANIRBIICLXCHOP-DTQAZKPQSA-N
Mol Weight 420.85 g/mol
Molecular Formula C23H17ClN2O4
Exact Mass 420.087685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Exif0NlaA2
Name benzoic acid, 2-[[(2E)-3-[5-(3-chlorophenyl)-2-furanyl]-2-cyano-1-oxo-2-propenyl]amino]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.087684731 u
Formula C23H17ClN2O4
InChI InChI=1S/C23H17ClN2O4/c1-2-29-23(28)19-8-3-4-9-20(19)26-22(27)16(14-25)13-18-10-11-21(30-18)15-6-5-7-17(24)12-15/h3-13H,2H2,1H3,(H,26,27)/b16-13+
InChIKey ANIRBIICLXCHOP-DTQAZKPQSA-N
Molecular Weight 420.852 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11972
Solvent DMSO-d6
Source Vendor ID: ZI/10016613; Lab Info: OBU; Lab Number: OBU-0000152