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7-(3-bromobenzyl)-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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7-(3-bromobenzyl)-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AuOKPZwr6MU
InChI InChI=1S/C17H20BrN5O2/c1-4-22(5-2)16-19-14-13(15(24)20-17(25)21(14)3)23(16)10-11-7-6-8-12(18)9-11/h6-9H,4-5,10H2,1-3H3,(H,20,24,25)
InChIKey FMMVHGJITFLJMM-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C17H20BrN5O2
Exact Mass 405.080038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DoIyXA40H9G
Name 7-(3-bromobenzyl)-8-(diethylamino)-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/C17H20BrN5O2/c1-4-22(5-2)16-19-14-13(15(24)20-17(25)21(14)3)23(16)10-11-7-6-8-12(18)9-11/h6-9H,4-5,10H2,1-3H3,(H,20,24,25)
InChIKey FMMVHGJITFLJMM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22687
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: D35345; Labnumber: UZROM-3767; SBI_ID: SBI-022691
Temperature 306 °C