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

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3-methyl-7-(3-methylbenzyl)-8-(2-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2uCxDCEWSE8
InChI InChI=1S/C20H25N5O2/c1-13-7-6-9-15(11-13)12-25-16-17(23(3)20(27)22-18(16)26)21-19(25)24-10-5-4-8-14(24)2/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3,(H,22,26,27)
InChIKey YPZKFRFSXKJAMU-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C20H25N5O2
Exact Mass 367.200825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JyENNWAttPa
Name 3-methyl-7-(3-methylbenzyl)-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/C20H25N5O2/c1-13-7-6-9-15(11-13)12-25-16-17(23(3)20(27)22-18(16)26)21-19(25)24-10-5-4-8-14(24)2/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3,(H,22,26,27)
InChIKey YPZKFRFSXKJAMU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7620
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: D31314; Labnumber: UZ01F011-2564; SBI_ID: SBI-007623
Temperature 318 °C