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8-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DnQwQ4PRKYg
InChI InChI=1S/C18H21FN6O2/c1-22-16-15(17(26)23(2)18(22)27)20-14(21-16)11-24-7-9-25(10-8-24)13-5-3-12(19)4-6-13/h3-6H,7-11H2,1-2H3,(H,20,21)
InChIKey PLZXRZRPRMLFEI-UHFFFAOYSA-N
Mol Weight 372.4 g/mol
Molecular Formula C18H21FN6O2
Exact Mass 372.171002 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ht8ppvs4t2P
Name 8-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-1,3-dimethyl-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/C18H21FN6O2/c1-22-16-15(17(26)23(2)18(22)27)20-14(21-16)11-24-7-9-25(10-8-24)13-5-3-12(19)4-6-13/h3-6H,7-11H2,1-2H3,(H,20,21)
InChIKey PLZXRZRPRMLFEI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22047
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: D58198; Labnumber: UZ01F011-4243; SBI_ID: SBI-022051
Temperature 318 °C