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

*Links on SpectraBase are not permalinks.
7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID LszFn39MZhU
InChI InChI=1S/C22H21ClN4O2S/c1-25-19-18(20(28)26(2)22(25)29)27(14-16-8-10-17(23)11-9-16)21(24-19)30-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKey KVDWEXGOMRVWRU-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C22H21ClN4O2S
Exact Mass 440.107375 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 GvomwCTRx8j
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-phenylethyl)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/C22H21ClN4O2S/c1-25-19-18(20(28)26(2)22(25)29)27(14-16-8-10-17(23)11-9-16)21(24-19)30-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKey KVDWEXGOMRVWRU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20217
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: D16403; Labnumber: UZROM-3527; SBI_ID: SBI-020221
Temperature 315 °C