For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(4-morpholinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5nFfnACvRxg
InChI InChI=1S/C21H27N5O3S/c1-15-4-6-16(7-5-15)14-26-17-18(23(2)21(28)24(3)19(17)27)22-20(26)30-13-10-25-8-11-29-12-9-25/h4-7H,8-14H2,1-3H3
InChIKey KKIZUMXLPKYFJA-UHFFFAOYSA-N
Mol Weight 429.54 g/mol
Molecular Formula C21H27N5O3S
Exact Mass 429.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FZpK0IJJwPd
Name 1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(4-morpholinyl)ethyl]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/C21H27N5O3S/c1-15-4-6-16(7-5-15)14-26-17-18(23(2)21(28)24(3)19(17)27)22-20(26)30-13-10-25-8-11-29-12-9-25/h4-7H,8-14H2,1-3H3
InChIKey KKIZUMXLPKYFJA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18661
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: D35206; Labnumber: UZROM-3589; SBI_ID: SBI-018664
Temperature 308 °C