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2-propenamide, 2-cyano-3-[5-(2,4-dichlorophenyl)-2-furanyl]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, (2E)-
SpectraBase Compound ID 2Y3RMDd0SG0
InChI InChI=1S/C25H18Cl2N4O3/c1-15-23(25(33)31(30(15)2)18-6-4-3-5-7-18)29-24(32)16(14-28)12-19-9-11-22(34-19)20-10-8-17(26)13-21(20)27/h3-13H,1-2H3,(H,29,32)/b16-12+
InChIKey VQEWOPFHAZMHRE-FOWTUZBSSA-N
Mol Weight 493.35 g/mol
Molecular Formula C25H18Cl2N4O3
Exact Mass 492.075596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BqtEz2ujQPY
Name 2-propenamide, 2-cyano-3-[5-(2,4-dichlorophenyl)-2-furanyl]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, (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 492.075595853 u
Formula C25H18Cl2N4O3
InChI InChI=1S/C25H18Cl2N4O3/c1-15-23(25(33)31(30(15)2)18-6-4-3-5-7-18)29-24(32)16(14-28)12-19-9-11-22(34-19)20-10-8-17(26)13-21(20)27/h3-13H,1-2H3,(H,29,32)/b16-12+
InChIKey VQEWOPFHAZMHRE-FOWTUZBSSA-N
Molecular Weight 493.350 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11980
Solvent DMSO-d6
Source Vendor ID: ZI/10018650; Lab Info: OBU; Lab Number: 0bu-0000117