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3,5-pyrazolidinedione, 1-(3,4-dimethylphenyl)-4-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-, (4E)-
SpectraBase Compound ID 1Jd7vJNClRA
InChI InChI=1S/C21H17FN4O2/c1-12-3-8-17(9-13(12)2)26-21(28)18(20(27)25-26)10-15-11-23-24-19(15)14-4-6-16(22)7-5-14/h3-11H,1-2H3,(H,23,24)(H,25,27)/b18-10+
InChIKey MMWYIXPQYWHDTM-VCHYOVAHSA-N
Mol Weight 376.39 g/mol
Molecular Formula C21H17FN4O2
Exact Mass 376.133554 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6fzY0Mg9Flk
Name 3,5-pyrazolidinedione, 1-(3,4-dimethylphenyl)-4-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-, (4E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.133553964 u
Formula C21H17FN4O2
InChI InChI=1S/C21H17FN4O2/c1-12-3-8-17(9-13(12)2)26-21(28)18(20(27)25-26)10-15-11-23-24-19(15)14-4-6-16(22)7-5-14/h3-11H,1-2H3,(H,23,24)(H,25,27)/b18-10+
InChIKey MMWYIXPQYWHDTM-VCHYOVAHSA-N
Molecular Weight 376.391 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14755
Solvent DMSO-d6
Source Vendor ID: NMR/10320395; Lab Info: SAD; Lab Number: SAD-dast005