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8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID ErZetLmqQEI
InChI InChI=1S/C25H36N6O3/c1-4-5-6-7-8-9-14-31-21-22(28(2)25(33)27-23(21)32)26-24(31)30-17-15-29(16-18-30)19-10-12-20(34-3)13-11-19/h10-13H,4-9,14-18H2,1-3H3,(H,27,32,33)
InChIKey QOESASVEAATKRS-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C25H36N6O3
Exact Mass 468.284889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ImayoWtRDXR
Name 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-octyl-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/C25H36N6O3/c1-4-5-6-7-8-9-14-31-21-22(28(2)25(33)27-23(21)32)26-24(31)30-17-15-29(16-18-30)19-10-12-20(34-3)13-11-19/h10-13H,4-9,14-18H2,1-3H3,(H,27,32,33)
InChIKey QOESASVEAATKRS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21983
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: D58125; Labnumber: UZ01F011-4127; SBI_ID: SBI-021987
Temperature 308 °C