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2-((E)-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetyl]hydrazono}methyl)benzoic acid
SpectraBase Compound ID LlgvJcZkYIa
InChI InChI=1S/C17H16N6O5/c1-21-14-13(15(25)22(2)17(21)28)18-9-23(14)8-12(24)20-19-7-10-5-3-4-6-11(10)16(26)27/h3-7,9H,8H2,1-2H3,(H,20,24)(H,26,27)/b19-7+
InChIKey XCPKLKBWFWHPAW-FBCYGCLPSA-N
Mol Weight 384.35 g/mol
Molecular Formula C17H16N6O5
Exact Mass 384.118218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hlUwH1xBHH
Name 2-((E)-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetyl]hydrazono}methyl)benzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.118217634 u
Formula C17H16N6O5
InChI InChI=1S/C17H16N6O5/c1-21-14-13(15(25)22(2)17(21)28)18-9-23(14)8-12(24)20-19-7-10-5-3-4-6-11(10)16(26)27/h3-7,9H,8H2,1-2H3,(H,20,24)(H,26,27)/b19-7+
InChIKey XCPKLKBWFWHPAW-FBCYGCLPSA-N
Molecular Weight 384.352 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4405
Solvent DMSO-d6
Source Vendor ID: NMR/12309289