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7-(2-chlorobenzyl)-3-methyl-8-(3-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione

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7-(2-chlorobenzyl)-3-methyl-8-(3-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID vE7nZ9BIxA
InChI InChI=1S/C19H22ClN5O2/c1-12-6-5-9-24(10-12)18-21-16-15(17(26)22-19(27)23(16)2)25(18)11-13-7-3-4-8-14(13)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,22,26,27)
InChIKey FAVNBSGIIYOPDO-UHFFFAOYSA-N
Mol Weight 387.87 g/mol
Molecular Formula C19H22ClN5O2
Exact Mass 387.146203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Y6DDcEHU2y
Name 7-(2-chlorobenzyl)-3-methyl-8-(3-methyl-1-piperidinyl)-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/C19H22ClN5O2/c1-12-6-5-9-24(10-12)18-21-16-15(17(26)22-19(27)23(16)2)25(18)11-13-7-3-4-8-14(13)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,22,26,27)
InChIKey FAVNBSGIIYOPDO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8919
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: D38805; Labnumber: UZ01F011-2493; SBI_ID: SBI-008922
Temperature 308 °C