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2-propenamide, 2-cyano-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-[5-(2-nitrophenyl)-2-furanyl]-, (2E)-
SpectraBase Compound ID KzGUNjYwzPe
InChI InChI=1S/C25H19N5O5/c1-16-23(25(32)29(28(16)2)18-8-4-3-5-9-18)27-24(31)17(15-26)14-19-12-13-22(35-19)20-10-6-7-11-21(20)30(33)34/h3-14H,1-2H3,(H,27,31)/b17-14+
InChIKey HIGRTYOEECWPKD-SAPNQHFASA-N
Mol Weight 469.46 g/mol
Molecular Formula C25H19N5O5
Exact Mass 469.138619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ej2fm6IKpkf
Name 2-propenamide, 2-cyano-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-[5-(2-nitrophenyl)-2-furanyl]-, (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 469.138618727 u
Formula C25H19N5O5
InChI InChI=1S/C25H19N5O5/c1-16-23(25(32)29(28(16)2)18-8-4-3-5-9-18)27-24(31)17(15-26)14-19-12-13-22(35-19)20-10-6-7-11-21(20)30(33)34/h3-14H,1-2H3,(H,27,31)/b17-14+
InChIKey HIGRTYOEECWPKD-SAPNQHFASA-N
Molecular Weight 469.457 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11970
Solvent DMSO-d6
Source Vendor ID: ZI/10016303; Lab Info: OBU; Lab Number: 0bu-0000045