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8-[benzyl(methyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID LQB3vLu0xNg
InChI InChI=1S/C22H21Cl2N5O2/c1-26(12-14-7-5-4-6-8-14)21-25-19-18(27(21)2)20(30)29(22(31)28(19)3)13-15-9-10-16(23)11-17(15)24/h4-11H,12-13H2,1-3H3
InChIKey JETXOUYNYLTSKY-UHFFFAOYSA-N
Mol Weight 458.35 g/mol
Molecular Formula C22H21Cl2N5O2
Exact Mass 457.10723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LY68mAnzaW
Name 8-[benzyl(methyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-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/C22H21Cl2N5O2/c1-26(12-14-7-5-4-6-8-14)21-25-19-18(27(21)2)20(30)29(22(31)28(19)3)13-15-9-10-16(23)11-17(15)24/h4-11H,12-13H2,1-3H3
InChIKey JETXOUYNYLTSKY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29039
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: D90850; Labnumber: LRP02-0797; SBI_ID: SBI-029043
Temperature 308 °C