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7-[2-(4-ethylphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1LcYb6L9Guk
InChI InChI=1S/C16H16N4O3/c1-3-10-4-6-11(7-5-10)12(21)8-20-9-17-14-13(20)15(22)18-16(23)19(14)2/h4-7,9H,3,8H2,1-2H3,(H,18,22,23)
InChIKey JPKZIHFFBRWYAC-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C16H16N4O3
Exact Mass 312.12224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LCHWrmRHc1r
Name 7-[2-(4-ethylphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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/C16H16N4O3/c1-3-10-4-6-11(7-5-10)12(21)8-20-9-17-14-13(20)15(22)18-16(23)19(14)2/h4-7,9H,3,8H2,1-2H3,(H,18,22,23)
InChIKey JPKZIHFFBRWYAC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5544
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: NMR/11221772; Labnumber: 0736; IOH_ID: IOH-005545