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1H-purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-[(4-nitrophenyl)methyl]-
SpectraBase Compound ID 957QVeIGa77
InChI InChI=1S/C13H10BrN5O4/c1-17-10-9(11(20)16-13(17)21)18(12(14)15-10)6-7-2-4-8(5-3-7)19(22)23/h2-5H,6H2,1H3,(H,16,20,21)
InChIKey JTGMNXZGFYQMLD-UHFFFAOYSA-N
Mol Weight 380.16 g/mol
Molecular Formula C13H10BrN5O4
Exact Mass 378.991617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2q48jQY4x78
Name 1H-purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-[(4-nitrophenyl)methyl]-
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/C13H10BrN5O4/c1-17-10-9(11(20)16-13(17)21)18(12(14)15-10)6-7-2-4-8(5-3-7)19(22)23/h2-5H,6H2,1H3,(H,16,20,21)
InChIKey JTGMNXZGFYQMLD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7087
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/10328362