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1,3-dimethyl-7-(4-methylbenzyl)-8-[(1-methyl-2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID BEf8TF326O
InChI InChI=1S/C19H22N4O3S/c1-11-6-8-14(9-7-11)10-23-15-16(20-18(23)27-13(3)12(2)24)21(4)19(26)22(5)17(15)25/h6-9,13H,10H2,1-5H3
InChIKey MQJPEFMSJIKUGB-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C19H22N4O3S
Exact Mass 386.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lQBVOoMpPS
Name 1,3-dimethyl-7-(4-methylbenzyl)-8-[(1-methyl-2-oxopropyl)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/C19H22N4O3S/c1-11-6-8-14(9-7-11)10-23-15-16(20-18(23)27-13(3)12(2)24)21(4)19(26)22(5)17(15)25/h6-9,13H,10H2,1-5H3
InChIKey MQJPEFMSJIKUGB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18651
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: D35195; Labnumber: UZROM-3577; SBI_ID: SBI-018654
Temperature 308 °C