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2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID DY5iuPqRRun
InChI InChI=1S/C16H14F3N5O3/c1-22-13-12(14(26)23(2)15(22)27)20-8-24(13)7-11(25)21-10-5-3-4-9(6-10)16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKey MHNLYKFHXBFRNG-UHFFFAOYSA-N
Mol Weight 381.32 g/mol
Molecular Formula C16H14F3N5O3
Exact Mass 381.104874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FB8HoY1XQq4
Name 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
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/C16H14F3N5O3/c1-22-13-12(14(26)23(2)15(22)27)20-8-24(13)7-11(25)21-10-5-3-4-9(6-10)16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKey MHNLYKFHXBFRNG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5600
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/11221930; Labnumber: 0906; IOH_ID: IOH-005601