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1,3,7-trimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 11hlJi2RN4b
InChI InChI=1S/C12H14N6O2S/c1-15-6-5-13-10(15)21-11-14-8-7(16(11)2)9(19)18(4)12(20)17(8)3/h5-6H,1-4H3
InChIKey QRGJPBXTGBFVCC-UHFFFAOYSA-N
Mol Weight 306.34 g/mol
Molecular Formula C12H14N6O2S
Exact Mass 306.089895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCvykxZecRr
Name 1,3,7-trimethyl-8-[(1-methyl-1H-imidazol-2-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/C12H14N6O2S/c1-15-6-5-13-10(15)21-11-14-8-7(16(11)2)9(19)18(4)12(20)17(8)3/h5-6H,1-4H3
InChIKey QRGJPBXTGBFVCC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_791
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/8120675; Labnumber: SAD-1500172; IOH_ID: IOH-000792
Temperature 303 °C