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7-allyl-8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3yM5MJqrLa9
InChI InChI=1S/C19H21ClN6O2/c1-3-7-26-15-16(23(2)19(28)22-17(15)27)21-18(26)25-10-8-24(9-11-25)14-6-4-5-13(20)12-14/h3-6,12H,1,7-11H2,2H3,(H,22,27,28)
InChIKey PVAWZVHTIBSKIV-UHFFFAOYSA-N
Mol Weight 400.87 g/mol
Molecular Formula C19H21ClN6O2
Exact Mass 400.141452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EdONLVs6KX
Name 7-allyl-8-[4-(3-chlorophenyl)-1-piperazinyl]-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/C19H21ClN6O2/c1-3-7-26-15-16(23(2)19(28)22-17(15)27)21-18(26)25-10-8-24(9-11-25)14-6-4-5-13(20)12-14/h3-6,12H,1,7-11H2,2H3,(H,22,27,28)
InChIKey PVAWZVHTIBSKIV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7634
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: D31333; Labnumber: UZ01F011-2583; SBI_ID: SBI-007637
Temperature 318 °C