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3-isopentyl-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID JcyTnk9PcUp
InChI InChI=1S/C21H27N5O2/c1-14(2)10-13-26-19(27)17-18(23(4)21(26)28)22-20-24(11-5-12-25(17)20)16-8-6-15(3)7-9-16/h6-9,14H,5,10-13H2,1-4H3
InChIKey BAVLGEURHHDALH-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 LXbeZvouvfk
Name 3-isopentyl-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/C21H27N5O2/c1-14(2)10-13-26-19(27)17-18(23(4)21(26)28)22-20-24(11-5-12-25(17)20)16-8-6-15(3)7-9-16/h6-9,14H,5,10-13H2,1-4H3
InChIKey BAVLGEURHHDALH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13376
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: D87989; Labnumber: SC_0369-1057; SBI_ID: SBI-013379
Temperature 318 °C