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1H-purine-2,6-dione, 7-(1-benzoylhexyl)-8-bromo-3,7-dihydro-1,3-dimethyl-

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1H-purine-2,6-dione, 7-(1-benzoylhexyl)-8-bromo-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID zaUzrmD97x
InChI InChI=1S/C20H23BrN4O3/c1-4-5-7-12-14(16(26)13-10-8-6-9-11-13)25-15-17(22-19(25)21)23(2)20(28)24(3)18(15)27/h6,8-11,14H,4-5,7,12H2,1-3H3
InChIKey PPFIBZHJYSTYTA-UHFFFAOYSA-N
Mol Weight 447.33 g/mol
Molecular Formula C20H23BrN4O3
Exact Mass 446.095354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZoCIad23J2
Name 1H-purine-2,6-dione, 7-(1-benzoylhexyl)-8-bromo-3,7-dihydro-1,3-dimethyl-
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/C20H23BrN4O3/c1-4-5-7-12-14(16(26)13-10-8-6-9-11-13)25-15-17(22-19(25)21)23(2)20(28)24(3)18(15)27/h6,8-11,14H,4-5,7,12H2,1-3H3
InChIKey PPFIBZHJYSTYTA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4145
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/17241336; Labnumber: POV-0800929