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8-(isopentylsulfanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

8-(isopentylsulfanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CHuH2RiA30Q
InChI InChI=1S/C20H26N4O2S/c1-13(2)10-11-27-19-21-17-16(18(25)23(5)20(26)22(17)4)24(19)12-15-8-6-14(3)7-9-15/h6-9,13H,10-12H2,1-5H3
InChIKey NAXBYLIPKREPOY-UHFFFAOYSA-N
Mol Weight 386.51 g/mol
Molecular Formula C20H26N4O2S
Exact Mass 386.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KgvxGYnhRjI
Name 8-(isopentylsulfanyl)-1,3-dimethyl-7-(4-methylbenzyl)-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/C20H26N4O2S/c1-13(2)10-11-27-19-21-17-16(18(25)23(5)20(26)22(17)4)24(19)12-15-8-6-14(3)7-9-15/h6-9,13H,10-12H2,1-5H3
InChIKey NAXBYLIPKREPOY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18649
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: D35193; Labnumber: UZROM-3575; SBI_ID: SBI-018652
Temperature 308 °C