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7-benzyl-8-[(4-methoxybenzyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID J0uz8r4RhUz
InChI InChI=1S/C21H21N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-15-6-4-3-5-7-15)20(23-18)22-12-14-8-10-16(29-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey JPSKWZSMXSULIJ-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C21H21N5O3
Exact Mass 391.16444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 73FTME5lU7a
Name 7-benzyl-8-[(4-methoxybenzyl)amino]-3-methyl-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/C21H21N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-15-6-4-3-5-7-15)20(23-18)22-12-14-8-10-16(29-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey JPSKWZSMXSULIJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8936
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: D38823; Labnumber: UZ01F011-2542; SBI_ID: SBI-008939
Temperature 308 °C