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7-(2-chlorobenzyl)-8-[(2-chlorobenzyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID GmZqqxIc8IZ
InChI InChI=1S/C20H17Cl2N5O2/c1-26-17-16(18(28)25-20(26)29)27(11-13-7-3-5-9-15(13)22)19(24-17)23-10-12-6-2-4-8-14(12)21/h2-9H,10-11H2,1H3,(H,23,24)(H,25,28,29)
InChIKey NBLRFADVSYXAQE-UHFFFAOYSA-N
Mol Weight 430.3 g/mol
Molecular Formula C20H17Cl2N5O2
Exact Mass 429.07593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpA5xM2dDUJ
Name 7-(2-chlorobenzyl)-8-[(2-chlorobenzyl)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/C20H17Cl2N5O2/c1-26-17-16(18(28)25-20(26)29)27(11-13-7-3-5-9-15(13)22)19(24-17)23-10-12-6-2-4-8-14(12)21/h2-9H,10-11H2,1H3,(H,23,24)(H,25,28,29)
InChIKey NBLRFADVSYXAQE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8904
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: D38780; Labnumber: UZ01F011-2432; SBI_ID: SBI-008907
Temperature 308 °C