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8-[4-(3-chlorophenyl)-1-piperazinyl]-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6zjkLXta0IL
InChI InChI=1S/C22H29ClN6O2/c1-15(2)8-9-29-18-19(25(3)22(31)26(4)20(18)30)24-21(29)28-12-10-27(11-13-28)17-7-5-6-16(23)14-17/h5-7,14-15H,8-13H2,1-4H3
InChIKey DQRFHFUMLKYNCW-UHFFFAOYSA-N
Mol Weight 444.97 g/mol
Molecular Formula C22H29ClN6O2
Exact Mass 444.204052 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7w6U77OsOCD
Name 8-[4-(3-chlorophenyl)-1-piperazinyl]-7-isopentyl-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/C22H29ClN6O2/c1-15(2)8-9-29-18-19(25(3)22(31)26(4)20(18)30)24-21(29)28-12-10-27(11-13-28)17-7-5-6-16(23)14-17/h5-7,14-15H,8-13H2,1-4H3
InChIKey DQRFHFUMLKYNCW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7652
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: D31356; Labnumber: UZ01F011-2606; SBI_ID: SBI-007655
Temperature 318 °C