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8-[4-(3-chlorophenyl)-1-piperazinyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5xYEOXck62W
InChI InChI=1S/C22H29ClN6O2/c1-3-4-5-6-10-29-18-19(26(2)22(31)25-20(18)30)24-21(29)28-13-11-27(12-14-28)17-9-7-8-16(23)15-17/h7-9,15H,3-6,10-14H2,1-2H3,(H,25,30,31)
InChIKey HJMLXIPJQNYLGM-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 2M4lGh3JoYQ
Name 8-[4-(3-chlorophenyl)-1-piperazinyl]-7-hexyl-3-methyl-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/c1-3-4-5-6-10-29-18-19(26(2)22(31)25-20(18)30)24-21(29)28-13-11-27(12-14-28)17-9-7-8-16(23)15-17/h7-9,15H,3-6,10-14H2,1-2H3,(H,25,30,31)
InChIKey HJMLXIPJQNYLGM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7642
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: D31345; Labnumber: UZ01F011-2595; SBI_ID: SBI-007645
Temperature 318 °C