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2,4(1H,3H)-pyrimidinedione, 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-
SpectraBase Compound ID H0vIFlp8YhY
InChI InChI=1S/C13H9N3O6/c17-12-11(16(19)20)8(14-13(18)15-12)3-1-7-2-4-9-10(5-7)22-6-21-9/h1-5H,6H2,(H2,14,15,17,18)/b3-1+
InChIKey DDMIGSXWDRQILX-HNQUOIGGSA-N
Mol Weight 303.23 g/mol
Molecular Formula C13H9N3O6
Exact Mass 303.049135 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ESTWwkeFIow
Name 2,4(1H,3H)-pyrimidinedione, 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.049135016 u
Formula C13H9N3O6
InChI InChI=1S/C13H9N3O6/c17-12-11(16(19)20)8(14-13(18)15-12)3-1-7-2-4-9-10(5-7)22-6-21-9/h1-5H,6H2,(H2,14,15,17,18)/b3-1+
InChIKey DDMIGSXWDRQILX-HNQUOIGGSA-N
Molecular Weight 303.230 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3179
Solvent DMSO-d6
Source Vendor ID: NMR/9258600; Lab Info: *1047759*; Lab Number: BAS 1047759
Temperature 29.85 °C