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benzoic acid, 2-chloro-5-[5-[(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxo-1-propenyl]-2-furanyl]-
SpectraBase Compound ID FMGPY1S6lVo
InChI InChI=1S/C23H17ClN2O4/c1-13-3-5-17(9-14(13)2)26-22(27)16(12-25)10-18-6-8-21(30-18)15-4-7-20(24)19(11-15)23(28)29/h3-11H,1-2H3,(H,26,27)(H,28,29)/b16-10+
InChIKey YCDWMHBQBXKUHW-MHWRWJLKSA-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 D3CaksNbePI
Name benzoic acid, 2-chloro-5-[5-[(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxo-1-propenyl]-2-furanyl]-
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/c1-13-3-5-17(9-14(13)2)26-22(27)16(12-25)10-18-6-8-21(30-18)15-4-7-20(24)19(11-15)23(28)29/h3-11H,1-2H3,(H,26,27)(H,28,29)/b16-10+
InChIKey YCDWMHBQBXKUHW-MHWRWJLKSA-N
Molecular Weight 420.852 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_164
Solvent DMSO-d6
Source Vendor ID: ZI/8059219; Lab Info: LD; Lab Number: LD-1301150
Temperature 29.85 °C