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benzamide, 4-chloro-N-[1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-

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benzamide, 4-chloro-N-[1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
SpectraBase Compound ID 3Gdja5BNd9L
InChI InChI=1S/C21H17ClF6N4O2/c1-12-16(18(34)32(31(12)2)15-6-4-3-5-7-15)29-19(20(23,24)25,21(26,27)28)30-17(33)13-8-10-14(22)11-9-13/h3-11,29H,1-2H3,(H,30,33)
InChIKey ANBUDNPFPSVSSH-UHFFFAOYSA-N
Mol Weight 506.84 g/mol
Molecular Formula C21H17ClF6N4O2
Exact Mass 506.094422 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9zPOZmpio1Z
Name benzamide, 4-chloro-N-[1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.094422479 u
Formula C21H17ClF6N4O2
InChI InChI=1S/C21H17ClF6N4O2/c1-12-16(18(34)32(31(12)2)15-6-4-3-5-7-15)29-19(20(23,24)25,21(26,27)28)30-17(33)13-8-10-14(22)11-9-13/h3-11,29H,1-2H3,(H,30,33)
InChIKey ANBUDNPFPSVSSH-UHFFFAOYSA-N
Molecular Weight 506.836 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7783
Solvent DMSO-d6
Source Vendor ID: NMR/10231193; Lab Info: AU; Lab Number: AU-t000958
Temperature 23.85 °C