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1,3,7-trimethyl-8-(1H-1,2,4-triazol-3-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

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1,3,7-trimethyl-8-(1H-1,2,4-triazol-3-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5N6rG0PBDe6
InChI InChI=1S/C10H11N7O2S/c1-15-5-6(16(2)10(19)17(3)7(5)18)13-9(15)20-8-11-4-12-14-8/h4H,1-3H3,(H,11,12,14)
InChIKey CECCTXYWKSSSED-UHFFFAOYSA-N
Mol Weight 293.31 g/mol
Molecular Formula C10H11N7O2S
Exact Mass 293.069494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qRenMMQjW
Name 1,3,7-trimethyl-8-(1H-1,2,4-triazol-3-ylsulfanyl)-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/C10H11N7O2S/c1-15-5-6(16(2)10(19)17(3)7(5)18)13-9(15)20-8-11-4-12-14-8/h4H,1-3H3,(H,11,12,14)
InChIKey CECCTXYWKSSSED-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4251
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/8315530; Labnumber: LP-3700624; IOH_ID: IOH-004252
Temperature 303 °C