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2-(4-phenyl-1-piperazinyl)-6-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}-4(3H)-pyrimidinone
SpectraBase Compound ID DOy8lkMkpgz
InChI InChI=1S/C22H22N8OS/c31-20-15-17(16-32-22-25-26-27-30(22)19-9-5-2-6-10-19)23-21(24-20)29-13-11-28(12-14-29)18-7-3-1-4-8-18/h1-10,15H,11-14,16H2,(H,23,24,31)
InChIKey DRJOCGQPAGZIFH-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C22H22N8OS
Exact Mass 446.163729 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6GegInH7tPp
Name 2-(4-phenyl-1-piperazinyl)-6-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]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/C22H22N8OS/c31-20-15-17(16-32-22-25-26-27-30(22)19-9-5-2-6-10-19)23-21(24-20)29-13-11-28(12-14-29)18-7-3-1-4-8-18/h1-10,15H,11-14,16H2,(H,23,24,31)
InChIKey DRJOCGQPAGZIFH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35104
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: E83371; SBI_ID: SBI-035108
Temperature 298 °C