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1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-
SpectraBase Compound ID K3qkhBuIwI2
InChI InChI=1S/C17H16BrN7O2S/c1-22-9-19-21-16(22)28-15-20-13-12(14(26)24(3)17(27)23(13)2)25(15)8-10-4-6-11(18)7-5-10/h4-7,9H,8H2,1-3H3
InChIKey LLZYVSFJJNVCNX-UHFFFAOYSA-N
Mol Weight 462.33 g/mol
Molecular Formula C17H16BrN7O2S
Exact Mass 461.026957 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3EZOAVcKtwP
Name 1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-
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/C17H16BrN7O2S/c1-22-9-19-21-16(22)28-15-20-13-12(14(26)24(3)17(27)23(13)2)25(15)8-10-4-6-11(18)7-5-10/h4-7,9H,8H2,1-3H3
InChIKey LLZYVSFJJNVCNX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2167
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/11268741