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5-(4-chlorobenzyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
SpectraBase Compound ID 2xmdpyGkgf3
InChI InChI=1S/C22H22ClFN4O/c1-15-20(14-16-2-4-17(23)5-3-16)21(29)26-22(25-15)28-12-10-27(11-13-28)19-8-6-18(24)7-9-19/h2-9H,10-14H2,1H3,(H,25,26,29)
InChIKey SUSXODNKBWXBGV-UHFFFAOYSA-N
Mol Weight 412.9 g/mol
Molecular Formula C22H22ClFN4O
Exact Mass 412.146617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L7uTNOgWPyh
Name 5-(4-chlorobenzyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
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/C22H22ClFN4O/c1-15-20(14-16-2-4-17(23)5-3-16)21(29)26-22(25-15)28-12-10-27(11-13-28)19-8-6-18(24)7-9-19/h2-9H,10-14H2,1H3,(H,25,26,29)
InChIKey SUSXODNKBWXBGV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35859
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: E94617; SBI_ID: SBI-035863
Temperature 308 °C