For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-(3-bromobenzyl)-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KKSA7VfwXBK
InChI InChI=1S/C17H21BrN6O2/c1-22(2)8-7-19-16-20-14-13(15(25)21-17(26)23(14)3)24(16)10-11-5-4-6-12(18)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,19,20)(H,21,25,26)
InChIKey GXRMLSFBABTQSE-UHFFFAOYSA-N
Mol Weight 421.3 g/mol
Molecular Formula C17H21BrN6O2
Exact Mass 420.090937 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5XE9drLaPIu
Name 7-(3-bromobenzyl)-8-{[2-(dimethylamino)ethyl]amino}-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/C17H21BrN6O2/c1-22(2)8-7-19-16-20-14-13(15(25)21-17(26)23(14)3)24(16)10-11-5-4-6-12(18)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,19,20)(H,21,25,26)
InChIKey GXRMLSFBABTQSE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20154
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: D16320; Labnumber: UZROM-3423; SBI_ID: SBI-020158
Temperature 318 °C