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3,5-pyrazolidinedione, 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-, (4E)-
SpectraBase Compound ID 97nSStgWloZ
InChI InChI=1S/C19H12ClFN4O2/c20-13-2-1-3-15(9-13)25-19(27)16(18(26)24-25)8-12-10-22-23-17(12)11-4-6-14(21)7-5-11/h1-10H,(H,22,23)(H,24,26)/b16-8+
InChIKey CKUMVNNPSPCFPH-LZYBPNLTSA-N
Mol Weight 382.78 g/mol
Molecular Formula C19H12ClFN4O2
Exact Mass 382.063282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Enj3Cixpf13
Name 3,5-pyrazolidinedione, 1-(3-chlorophenyl)-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 382.063281503 u
Formula C19H12ClFN4O2
InChI InChI=1S/C19H12ClFN4O2/c20-13-2-1-3-15(9-13)25-19(27)16(18(26)24-25)8-12-10-22-23-17(12)11-4-6-14(21)7-5-11/h1-10H,(H,22,23)(H,24,26)/b16-8+
InChIKey CKUMVNNPSPCFPH-LZYBPNLTSA-N
Molecular Weight 382.782 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16175
Solvent DMSO-d6
Source Vendor ID: NMR/11210070; Lab Info: SAD; Lab Number: 85