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2-propenoic acid, 2-cyano-3-[1-[(2,6-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl]-, ethyl ester, (2Z)-
SpectraBase Compound ID 9hqVolAoM5Y
InChI InChI=1S/C22H17Cl2N3O2/c1-2-29-22(28)16(12-25)11-17-13-27(14-18-19(23)9-6-10-20(18)24)26-21(17)15-7-4-3-5-8-15/h3-11,13H,2,14H2,1H3/b16-11-
InChIKey KNBOUWPUJBELSM-WJDWOHSUSA-N
Mol Weight 426.3 g/mol
Molecular Formula C22H17Cl2N3O2
Exact Mass 425.069782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuMOyzpJK7z
Name 2-propenoic acid, 2-cyano-3-[1-[(2,6-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl]-, ethyl ester, (2Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.069782197 u
Formula C22H17Cl2N3O2
InChI InChI=1S/C22H17Cl2N3O2/c1-2-29-22(28)16(12-25)11-17-13-27(14-18-19(23)9-6-10-20(18)24)26-21(17)15-7-4-3-5-8-15/h3-11,13H,2,14H2,1H3/b16-11-
InChIKey KNBOUWPUJBELSM-WJDWOHSUSA-N
Molecular Weight 426.303 g/mol
NMR Offset 16.0471
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_939
Solvent DMSO-d6
Source Vendor ID: NMR/8306768; Lab Info: PNA; Lab Number: PNA-0006789
Temperature 23.85 °C