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

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8-(allylamino)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DdjC7pnFeo
InChI InChI=1S/C16H16BrN5O2/c1-3-7-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-5-4-6-11(17)8-10/h3-6,8H,1,7,9H2,2H3,(H,18,19)(H,20,23,24)
InChIKey QMIQIIHKHFZYPM-UHFFFAOYSA-N
Mol Weight 390.24 g/mol
Molecular Formula C16H16BrN5O2
Exact Mass 389.048738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKcLiTKQOsu
Name 8-(allylamino)-7-(3-bromobenzyl)-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/C16H16BrN5O2/c1-3-7-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-5-4-6-11(17)8-10/h3-6,8H,1,7,9H2,2H3,(H,18,19)(H,20,23,24)
InChIKey QMIQIIHKHFZYPM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22688
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: D35346; Labnumber: UZROM-3769; SBI_ID: SBI-022692
Temperature 306 °C