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8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2ChbbK24PDB
InChI InChI=1S/C14H12BrClN4O2/c1-18-10-11(17-13(18)15)19(2)14(22)20(12(10)21)7-8-5-3-4-6-9(8)16/h3-6H,7H2,1-2H3
InChIKey NCHSXNWFXUPIEN-UHFFFAOYSA-N
Mol Weight 383.63 g/mol
Molecular Formula C14H12BrClN4O2
Exact Mass 381.983216 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FA2CaHZl8wV
Name 8-bromo-1-(2-chlorobenzyl)-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/C14H12BrClN4O2/c1-18-10-11(17-13(18)15)19(2)14(22)20(12(10)21)7-8-5-3-4-6-9(8)16/h3-6H,7H2,1-2H3
InChIKey NCHSXNWFXUPIEN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_131
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: /VSVE0061371; UBI_ID: UBI-000132
Temperature 308 °C