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8-[4-(3-chlorophenyl)-1-piperazinyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3sTqszDvhom
InChI InChI=1S/C26H29ClN6O2/c1-29-23-22(24(34)30(2)26(29)35)33(13-7-10-19-8-4-3-5-9-19)25(28-23)32-16-14-31(15-17-32)21-12-6-11-20(27)18-21/h3-6,8-9,11-12,18H,7,10,13-17H2,1-2H3
InChIKey LTAPVNMOXDTRRK-UHFFFAOYSA-N
Mol Weight 493.01 g/mol
Molecular Formula C26H29ClN6O2
Exact Mass 492.204052 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A46YA4vlwWD
Name 8-[4-(3-chlorophenyl)-1-piperazinyl]-1,3-dimethyl-7-(3-phenylpropyl)-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/C26H29ClN6O2/c1-29-23-22(24(34)30(2)26(29)35)33(13-7-10-19-8-4-3-5-9-19)25(28-23)32-16-14-31(15-17-32)21-12-6-11-20(27)18-21/h3-6,8-9,11-12,18H,7,10,13-17H2,1-2H3
InChIKey LTAPVNMOXDTRRK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22005
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: D58148; Labnumber: UZ01F011-4151; SBI_ID: SBI-022009
Temperature 308 °C