For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
8-[4-(3-chlorophenyl)-1-piperazinyl]-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7Js8dPLKVgV
InChI InChI=1S/C21H27ClN6O2/c1-14(2)7-8-28-17-18(25(3)21(30)24-19(17)29)23-20(28)27-11-9-26(10-12-27)16-6-4-5-15(22)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,24,29,30)
InChIKey FGOWLCPLIAQZBO-UHFFFAOYSA-N
Mol Weight 430.94 g/mol
Molecular Formula C21H27ClN6O2
Exact Mass 430.188402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EEfq0hsopa9
Name 8-[4-(3-chlorophenyl)-1-piperazinyl]-7-isopentyl-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/C21H27ClN6O2/c1-14(2)7-8-28-17-18(25(3)21(30)24-19(17)29)23-20(28)27-11-9-26(10-12-27)16-6-4-5-15(22)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,24,29,30)
InChIKey FGOWLCPLIAQZBO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7655
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: D31360; Labnumber: UZ01F011-2610; SBI_ID: SBI-007658
Temperature 318 °C