For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3,7-trimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Gba55F9bXpl
InChI InChI=1S/C11H13N7O2S/c1-15-5-12-14-10(15)21-9-13-7-6(16(9)2)8(19)18(4)11(20)17(7)3/h5H,1-4H3
InChIKey DVOWEJVZUPRTFP-UHFFFAOYSA-N
Mol Weight 307.33 g/mol
Molecular Formula C11H13N7O2S
Exact Mass 307.085144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EZDZ4XstAJk
Name 1,3,7-trimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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/C11H13N7O2S/c1-15-5-12-14-10(15)21-9-13-7-6(16(9)2)8(19)18(4)11(20)17(7)3/h5H,1-4H3
InChIKey DVOWEJVZUPRTFP-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_602
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: ZI/8092164; Labnumber: SAD-e140008; IOH_ID: IOH-000603
Temperature 297 °C