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

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7-(2-chlorobenzyl)-3-methyl-8-(2-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Lsxk3euK8ZG
InChI InChI=1S/C19H22ClN5O2/c1-12-7-5-6-10-24(12)18-21-16-15(17(26)22-19(27)23(16)2)25(18)11-13-8-3-4-9-14(13)20/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,22,26,27)
InChIKey SFQHNQFXQVWOPI-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 4yjFjWP0V8w
Name 7-(2-chlorobenzyl)-3-methyl-8-(2-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/c1-12-7-5-6-10-24(12)18-21-16-15(17(26)22-19(27)23(16)2)25(18)11-13-8-3-4-9-14(13)20/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,22,26,27)
InChIKey SFQHNQFXQVWOPI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7624
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: D31318; Labnumber: UZ01F011-2568; SBI_ID: SBI-007627
Temperature 318 °C