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5-(3-iodo-4-methoxy-5-nitrobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione

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5-(3-iodo-4-methoxy-5-nitrobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 9zqO3U2N7GJ
InChI InChI=1S/C12H8IN3O6/c1-22-9-7(13)3-5(4-8(9)16(20)21)2-6-10(17)14-12(19)15-11(6)18/h2-4H,1H3,(H2,14,15,17,18,19)
InChIKey SXTPUPKBUYBBRY-UHFFFAOYSA-N
Mol Weight 417.12 g/mol
Molecular Formula C12H8IN3O6
Exact Mass 416.94578 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6L6VTh6miax
Name 5-(3-iodo-4-methoxy-5-nitrobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H8IN3O6/c1-22-9-7(13)3-5(4-8(9)16(20)21)2-6-10(17)14-12(19)15-11(6)18/h2-4H,1H3,(H2,14,15,17,18,19)
InChIKey SXTPUPKBUYBBRY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_933
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/7072589; Labnumber: LD-1201192; IOH_ID: IOH-000934
Temperature 303 °C