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8-bromo-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AeGlRamA0DT
InChI InChI=1S/C11H11BrN6O2S2/c1-5-15-16-11(22-5)21-4-3-18-6-7(13-9(18)12)17(2)10(20)14-8(6)19/h3-4H2,1-2H3,(H,14,19,20)
InChIKey AOWPQVXTYUZVHD-UHFFFAOYSA-N
Mol Weight 403.27 g/mol
Molecular Formula C11H11BrN6O2S2
Exact Mass 401.956829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J5GT1sy7urt
Name 8-bromo-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
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/C11H11BrN6O2S2/c1-5-15-16-11(22-5)21-4-3-18-6-7(13-9(18)12)17(2)10(20)14-8(6)19/h3-4H2,1-2H3,(H,14,19,20)
InChIKey AOWPQVXTYUZVHD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8879
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: D38749; Labnumber: UZ01F011-2366; SBI_ID: SBI-008882
Temperature 308 °C