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

*Links on SpectraBase are not permalinks.

7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(1-piperidinylmethyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(1-piperidinylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID p0hd5r407i
InChI InChI=1S/C20H23ClFN5O2/c1-24-18-17(19(28)25(2)20(24)29)27(11-13-14(21)7-6-8-15(13)22)16(23-18)12-26-9-4-3-5-10-26/h6-8H,3-5,9-12H2,1-2H3
InChIKey GQYNQHXEXRNBOH-UHFFFAOYSA-N
Mol Weight 419.89 g/mol
Molecular Formula C20H23ClFN5O2
Exact Mass 419.152431 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 AeuisTcvOlT
Name 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(1-piperidinylmethyl)-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/C20H23ClFN5O2/c1-24-18-17(19(28)25(2)20(24)29)27(11-13-14(21)7-6-8-15(13)22)16(23-18)12-26-9-4-3-5-10-26/h6-8H,3-5,9-12H2,1-2H3
InChIKey GQYNQHXEXRNBOH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9024
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: D51593; Labnumber: UZ01F011-2487; SBI_ID: SBI-009027
Temperature 318 °C