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3-methyl-7-(3-methylbenzyl)-8-[(3,3,5-trimethylcyclohexyl)amino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID GVdGq60v7Bh
InChI InChI=1S/C23H31N5O2/c1-14-7-6-8-16(9-14)13-28-18-19(27(5)22(30)26-20(18)29)25-21(28)24-17-10-15(2)11-23(3,4)12-17/h6-9,15,17H,10-13H2,1-5H3,(H,24,25)(H,26,29,30)
InChIKey FKIJXTVHRFQRTM-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C23H31N5O2
Exact Mass 409.247775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HNY0w3m3rZ4
Name 3-methyl-7-(3-methylbenzyl)-8-[(3,3,5-trimethylcyclohexyl)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/C23H31N5O2/c1-14-7-6-8-16(9-14)13-28-18-19(27(5)22(30)26-20(18)29)25-21(28)24-17-10-15(2)11-23(3,4)12-17/h6-9,15,17H,10-13H2,1-5H3,(H,24,25)(H,26,29,30)
InChIKey FKIJXTVHRFQRTM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8897
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: D38773; Labnumber: UZ01F011-2425; SBI_ID: SBI-008900
Temperature 308 °C