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

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1-(4-chlorobenzyl)-3,7-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IAKYFptgvuE
InChI InChI=1S/C18H20ClN5O2/c1-21-14-15(20-17(21)23-9-3-4-10-23)22(2)18(26)24(16(14)25)11-12-5-7-13(19)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKey WYEBVMZZGRCMHZ-UHFFFAOYSA-N
Mol Weight 373.84 g/mol
Molecular Formula C18H20ClN5O2
Exact Mass 373.130553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bmkf3EnFy2I
Name 1-(4-chlorobenzyl)-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/C18H20ClN5O2/c1-21-14-15(20-17(21)23-9-3-4-10-23)22(2)18(26)24(16(14)25)11-12-5-7-13(19)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKey WYEBVMZZGRCMHZ-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8749
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: D36365; Labnumber: LRP02-0929; SBI_ID: SBI-008752
Temperature 318 °C