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1-[1-(3-bromobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
SpectraBase Compound ID GAOltNom2oW
InChI InChI=1S/C20H23BrN6O3/c1-24-15-17(23-19(24)26-8-6-13(7-9-26)16(22)28)25(2)20(30)27(18(15)29)11-12-4-3-5-14(21)10-12/h3-5,10,13H,6-9,11H2,1-2H3,(H2,22,28)
InChIKey GYPCOXPCDHSNDK-UHFFFAOYSA-N
Mol Weight 475.35 g/mol
Molecular Formula C20H23BrN6O3
Exact Mass 474.101502 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JU58AunkdNz
Name 1-[1-(3-bromobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
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/C20H23BrN6O3/c1-24-15-17(23-19(24)26-8-6-13(7-9-26)16(22)28)25(2)20(30)27(18(15)29)11-12-4-3-5-14(21)10-12/h3-5,10,13H,6-9,11H2,1-2H3,(H2,22,28)
InChIKey GYPCOXPCDHSNDK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25711
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: D60601; Labnumber: LRP02-0777; SBI_ID: SBI-025715
Temperature 308 °C