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

*Links on SpectraBase are not permalinks.
1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperidinyl)-
SpectraBase Compound ID F3CTICJQgh4
InChI InChI=1S/C20H23ClFN5O2/c1-12-7-9-26(10-8-12)19-23-17-16(18(28)25(3)20(29)24(17)2)27(19)11-13-14(21)5-4-6-15(13)22/h4-6,12H,7-11H2,1-3H3
InChIKey QTHMFLWXKAQUPL-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 Hlnfoy4yhq4
Name 1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperidinyl)-
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/c1-12-7-9-26(10-8-12)19-23-17-16(18(28)25(3)20(29)24(17)2)27(19)11-13-14(21)5-4-6-15(13)22/h4-6,12H,7-11H2,1-3H3
InChIKey QTHMFLWXKAQUPL-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3022
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: NMR/10218824