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3-methyl-7-(3-methylbenzyl)-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CCRRhWXIxUH
InChI InChI=1S/C22H23N5O2/c1-14-8-7-9-16(12-14)13-27-18-19(26(3)22(29)25-20(18)28)24-21(27)23-15(2)17-10-5-4-6-11-17/h4-12,15H,13H2,1-3H3,(H,23,24)(H,25,28,29)
InChIKey LACRTZFACIWRLB-UHFFFAOYSA-N
Mol Weight 389.46 g/mol
Molecular Formula C22H23N5O2
Exact Mass 389.185175 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cgfx51igwhz
Name 3-methyl-7-(3-methylbenzyl)-8-[(1-phenylethyl)amino]-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/C22H23N5O2/c1-14-8-7-9-16(12-14)13-27-18-19(26(3)22(29)25-20(18)28)24-21(27)23-15(2)17-10-5-4-6-11-17/h4-12,15H,13H2,1-3H3,(H,23,24)(H,25,28,29)
InChIKey LACRTZFACIWRLB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8895
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: D38771; Labnumber: UZ01F011-2423; SBI_ID: SBI-008898
Temperature 308 °C