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3-(4-chlorobenzyl)-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 8MBSpXi0Q77
InChI InChI=1S/C23H22ClN5O2/c1-15-4-10-18(11-5-15)27-12-3-13-28-19-20(25-22(27)28)26(2)23(31)29(21(19)30)14-16-6-8-17(24)9-7-16/h4-11H,3,12-14H2,1-2H3
InChIKey JKFDEMJWDRJZPB-UHFFFAOYSA-N
Mol Weight 435.92 g/mol
Molecular Formula C23H22ClN5O2
Exact Mass 435.146203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dqmCwpSd5B
Name 3-(4-chlorobenzyl)-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-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/C23H22ClN5O2/c1-15-4-10-18(11-5-15)27-12-3-13-28-19-20(25-22(27)28)26(2)23(31)29(21(19)30)14-16-6-8-17(24)9-7-16/h4-11H,3,12-14H2,1-2H3
InChIKey JKFDEMJWDRJZPB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8076
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: D50674; Labnumber: SC_0369-1060; SBI_ID: SBI-008079
Temperature 318 °C