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

*Links on SpectraBase are not permalinks.

1,3,7-trimethyl-8-(methylsulfonyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

1,3,7-trimethyl-8-(methylsulfonyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8sBEaSrRCTq
InChI InChI=1S/C9H12N4O4S/c1-11-5-6(10-8(11)18(4,16)17)12(2)9(15)13(3)7(5)14/h1-4H3
InChIKey LITVSIIZRQQKPD-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C9H12N4O4S
Exact Mass 272.057926 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 G9r6U1dysbb
Name 1,3,7-trimethyl-8-(methylsulfonyl)-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/C9H12N4O4S/c1-11-5-6(10-8(11)18(4,16)17)12(2)9(15)13(3)7(5)14/h1-4H3
InChIKey LITVSIIZRQQKPD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6294
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/11242703; Labnumber: LP-3701402; IOH_ID: IOH-006295