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

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1-(3-bromobenzyl)-3,7-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID HWAN4BO8FJg
InChI InChI=1S/C18H20BrN5O2/c1-21-14-15(20-17(21)23-8-3-4-9-23)22(2)18(26)24(16(14)25)11-12-6-5-7-13(19)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKey BHJGKSSGBIMTIE-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 CwPjsdMtqwd
Name 1-(3-bromobenzyl)-3,7-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/c1-21-14-15(20-17(21)23-8-3-4-9-23)22(2)18(26)24(16(14)25)11-12-6-5-7-13(19)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKey BHJGKSSGBIMTIE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25731
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: D60622; Labnumber: LRP02-0933; SBI_ID: SBI-025735
Temperature 318 °C