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1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(methylthio)-
SpectraBase Compound ID DQd8F65JBBg
InChI InChI=1S/C9H12N4O2S/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3
InChIKey BWSVUTTVMCSWHS-UHFFFAOYSA-N
Mol Weight 240.28 g/mol
Molecular Formula C9H12N4O2S
Exact Mass 240.068097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Q5ydpxsx3f
Name 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(methylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.068096814 u
Formula C9H12N4O2S
InChI InChI=1S/C9H12N4O2S/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3
InChIKey BWSVUTTVMCSWHS-UHFFFAOYSA-N
Molecular Weight 240.281 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1583
Solvent DMSO-d6
Source Vendor ID: NMR/8316054; Lab Info: LP; Lab Number: LP-3700515