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

View entire compound with spectra: 1 NMR

8-(ethylsulfanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6UbxOsIH7P4
InChI InChI=1S/C17H20N4O2S/c1-5-24-16-18-14-13(15(22)20(4)17(23)19(14)3)21(16)10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKey HEVDQVRNRUZITJ-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C17H20N4O2S
Exact Mass 344.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FUQgIRXJL5u
Name 8-(ethylsulfanyl)-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/C17H20N4O2S/c1-5-24-16-18-14-13(15(22)20(4)17(23)19(14)3)21(16)10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKey HEVDQVRNRUZITJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18663
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: D35208; Labnumber: UZROM-3591; SBI_ID: SBI-018666
Temperature 308 °C