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methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
SpectraBase Compound ID 3o18jVwe3VH
InChI InChI=1S/C16H16N4O4/c1-18-13-12(14(21)19(2)16(18)23)20(9-17-13)8-10-4-6-11(7-5-10)15(22)24-3/h4-7,9H,8H2,1-3H3
InChIKey XSDQSNJZWKXZDV-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C16H16N4O4
Exact Mass 328.117155 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CScEZxXsKNF
Name methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
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/C16H16N4O4/c1-18-13-12(14(21)19(2)16(18)23)20(9-17-13)8-10-4-6-11(7-5-10)15(22)24-3/h4-7,9H,8H2,1-3H3
InChIKey XSDQSNJZWKXZDV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6154
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/11242393; Labnumber: SAD-0003050; IOH_ID: IOH-006155