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7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Jk1EuK1iYNE
InChI InChI=1S/C14H12BrClN4O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(16)17-11)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3
InChIKey JIAXKKAZTVDJAD-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 1WuI5iWzasJ
Name 7-(3-bromobenzyl)-8-chloro-1,3-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/c1-18-11-10(12(21)19(2)14(18)22)20(13(16)17-11)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3
InChIKey JIAXKKAZTVDJAD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3917
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: NMR/8325852; Labnumber: LP-3700649; IOH_ID: IOH-003918
Temperature 303 °C