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3-hexyl-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 4YACIO6NqEj
InChI InChI=1S/C22H29N5O2/c1-4-5-6-7-12-27-20(28)18-19(24(3)22(27)29)23-21-25(13-9-14-26(18)21)17-11-8-10-16(2)15-17/h8,10-11,15H,4-7,9,12-14H2,1-3H3
InChIKey SKFRUPCVWBZUBL-UHFFFAOYSA-N
Mol Weight 395.51 g/mol
Molecular Formula C22H29N5O2
Exact Mass 395.232125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BvdtG4v1mFd
Name 3-hexyl-1-methyl-9-(3-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/C22H29N5O2/c1-4-5-6-7-12-27-20(28)18-19(24(3)22(27)29)23-21-25(13-9-14-26(18)21)17-11-8-10-16(2)15-17/h8,10-11,15H,4-7,9,12-14H2,1-3H3
InChIKey SKFRUPCVWBZUBL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13415
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: D88032; Labnumber: SC_0369-1367; SBI_ID: SBI-013418
Temperature 318 °C