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3,5-pyrazolidinedione, 1-(3-chloro-4-fluorophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]methylene]-, (4E)-
SpectraBase Compound ID BI3PiQ1Ts9N
InChI InChI=1S/C20H19ClFN3O3/c1-3-24(4-2)13-6-5-12(18(26)11-13)9-15-19(27)23-25(20(15)28)14-7-8-17(22)16(21)10-14/h5-11,26H,3-4H2,1-2H3,(H,23,27)/b15-9+
InChIKey IKRVVZFMUCSRBH-OQLLNIDSSA-N
Mol Weight 403.84 g/mol
Molecular Formula C20H19ClFN3O3
Exact Mass 403.109897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AfNhuY6ak0F
Name 3,5-pyrazolidinedione, 1-(3-chloro-4-fluorophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]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 403.109897344 u
Formula C20H19ClFN3O3
InChI InChI=1S/C20H19ClFN3O3/c1-3-24(4-2)13-6-5-12(18(26)11-13)9-15-19(27)23-25(20(15)28)14-7-8-17(22)16(21)10-14/h5-11,26H,3-4H2,1-2H3,(H,23,27)/b15-9+
InChIKey IKRVVZFMUCSRBH-OQLLNIDSSA-N
Molecular Weight 403.841 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9168
Solvent DMSO-d6
Source Vendor ID: NMR/9234010; Lab Info: LP; Lab Number: LP-0340018