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

*Links on SpectraBase are not permalinks.
7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2BXqHEdCEdf
InChI InChI=1S/C22H21ClN4O2S/c1-14-4-6-16(7-5-14)13-30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)12-15-8-10-17(23)11-9-15/h4-11H,12-13H2,1-3H3
InChIKey PBWYTMIUIBOSHS-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 AXJrIqJlvtQ
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)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/c1-14-4-6-16(7-5-14)13-30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)12-15-8-10-17(23)11-9-15/h4-11H,12-13H2,1-3H3
InChIKey PBWYTMIUIBOSHS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20223
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: D16409; Labnumber: UZROM-3533; SBI_ID: SBI-020227
Temperature 315 °C