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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-pyrimidinylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8RTpAxnx3NM
InChI InChI=1S/C18H15ClN6O2S/c1-23-14-13(15(26)24(2)18(23)27)25(10-11-4-6-12(19)7-5-11)17(22-14)28-16-20-8-3-9-21-16/h3-9H,10H2,1-2H3
InChIKey FSEHLXZZTWRHFA-UHFFFAOYSA-N
Mol Weight 414.87 g/mol
Molecular Formula C18H15ClN6O2S
Exact Mass 414.066573 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 y0ipq6sehx
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-pyrimidinylsulfanyl)-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/C18H15ClN6O2S/c1-23-14-13(15(26)24(2)18(23)27)25(10-11-4-6-12(19)7-5-11)17(22-14)28-16-20-8-3-9-21-16/h3-9H,10H2,1-2H3
InChIKey FSEHLXZZTWRHFA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22040
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: D58191; Labnumber: UZ01F011-4219; SBI_ID: SBI-022044
Temperature 318 °C