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3-butyl-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID KTOF452An79
InChI InChI=1S/C21H27N5O2/c1-3-4-13-26-19(27)17-18(23(2)21(26)28)22-20-24(12-8-14-25(17)20)15-11-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKey MLBJIDASSPBDNZ-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 JVPn0r1gzAI
Name 3-butyl-1-methyl-9-(2-phenylethyl)-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/c1-3-4-13-26-19(27)17-18(23(2)21(26)28)22-20-24(12-8-14-25(17)20)15-11-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKey MLBJIDASSPBDNZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3806
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: D96285; Labnumber: SC_0369-2450; SBI_ID: SBI-003808
Temperature 318 °C