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7-(4-bromobenzyl)-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione

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7-(4-bromobenzyl)-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID JDKtYbNUaS8
InChI InChI=1S/C18H20BrN5O2/c1-21-15-14(16(25)22(2)18(21)26)24(11-12-5-7-13(19)8-6-12)17(20-15)23-9-3-4-10-23/h5-8H,3-4,9-11H2,1-2H3
InChIKey MLCCKLVXKAHUQT-UHFFFAOYSA-N
Mol Weight 418.3 g/mol
Molecular Formula C18H20BrN5O2
Exact Mass 417.080038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUHjpPqp6PW
Name 7-(4-bromobenzyl)-1,3-dimethyl-8-(1-pyrrolidinyl)-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/C18H20BrN5O2/c1-21-15-14(16(25)22(2)18(21)26)24(11-12-5-7-13(19)8-6-12)17(20-15)23-9-3-4-10-23/h5-8H,3-4,9-11H2,1-2H3
InChIKey MLCCKLVXKAHUQT-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8748
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: D36364; Labnumber: LRP02-0927; SBI_ID: SBI-008751
Temperature 318 °C