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1-methyl-9-(3-methylphenyl)-3-pentyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID BXgD7aVcYNM
InChI InChI=1S/C21H27N5O2/c1-4-5-6-11-26-19(27)17-18(23(3)21(26)28)22-20-24(12-8-13-25(17)20)16-10-7-9-15(2)14-16/h7,9-10,14H,4-6,8,11-13H2,1-3H3
InChIKey YMRRBDVBUQFQSG-UHFFFAOYSA-N
Mol Weight 381.48 g/mol
Molecular Formula C21H27N5O2
Exact Mass 381.216475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4kfajsaVFz2
Name 1-methyl-9-(3-methylphenyl)-3-pentyl-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/C21H27N5O2/c1-4-5-6-11-26-19(27)17-18(23(3)21(26)28)22-20-24(12-8-13-25(17)20)16-10-7-9-15(2)14-16/h7,9-10,14H,4-6,8,11-13H2,1-3H3
InChIKey YMRRBDVBUQFQSG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13414
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: D88031; Labnumber: SC_0369-1366; SBI_ID: SBI-013417
Temperature 318 °C