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(4E)-1-(4-fluorophenyl)-4-(4-hydroxy-3-iodo-5-methoxy-benzylidene)pyrazolidine-3,5-quinone

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(4E)-1-(4-fluorophenyl)-4-(4-hydroxy-3-iodo-5-methoxy-benzylidene)pyrazolidine-3,5-quinone
SpectraBase Compound ID 8raJl7MGTCO
InChI InChI=1S/C17H12FIN2O4/c1-25-14-8-9(7-13(19)15(14)22)6-12-16(23)20-21(17(12)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,20,23)/b12-6+
InChIKey HXAJHFMLVBILNT-WUXMJOGZSA-N
Mol Weight 454.2 g/mol
Molecular Formula C17H12FIN2O4
Exact Mass 453.98258 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KaDOJ0OTsy3
Name 3,5-pyrazolidinedione, 1-(4-fluorophenyl)-4-[(4-hydroxy-3-iodo-5-methoxyphenyl)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 453.982580033 u
Formula C17H12FIN2O4
InChI InChI=1S/C17H12FIN2O4/c1-25-14-8-9(7-13(19)15(14)22)6-12-16(23)20-21(17(12)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,20,23)/b12-6+
InChIKey HXAJHFMLVBILNT-WUXMJOGZSA-N
Molecular Weight 454.196 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12989
Solvent DMSO-d6
Source Vendor ID: NMR/10291499; Lab Info: SAD; Lab Number: SAD-0102471