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7-(3-bromobenzyl)-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4jtRREHunWF
InChI InChI=1S/C19H25BrN6O2/c1-4-25(5-2)10-9-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-7-6-8-14(20)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,22)(H,23,27,28)
InChIKey VCESILDEWMUNMO-UHFFFAOYSA-N
Mol Weight 449.35 g/mol
Molecular Formula C19H25BrN6O2
Exact Mass 448.122237 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LqaUkBQi8TR
Name 7-(3-bromobenzyl)-8-{[2-(diethylamino)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/C19H25BrN6O2/c1-4-25(5-2)10-9-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-7-6-8-14(20)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,22)(H,23,27,28)
InChIKey VCESILDEWMUNMO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20155
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: D16321; Labnumber: UZROM-3424; SBI_ID: SBI-020159
Temperature 318 °C