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3-heptyl-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID KMTOHg8kX6a
InChI InChI=1S/C23H31N5O2/c1-4-5-6-7-8-13-28-21(29)19-20(25(3)23(28)30)24-22-26(14-10-15-27(19)22)18-12-9-11-17(2)16-18/h9,11-12,16H,4-8,10,13-15H2,1-3H3
InChIKey UZYMUDYNPJCRRU-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C23H31N5O2
Exact Mass 409.247775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BuLrgiW19CB
Name 3-heptyl-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/C23H31N5O2/c1-4-5-6-7-8-13-28-21(29)19-20(25(3)23(28)30)24-22-26(14-10-15-27(19)22)18-12-9-11-17(2)16-18/h9,11-12,16H,4-8,10,13-15H2,1-3H3
InChIKey UZYMUDYNPJCRRU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13416
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: D88033; Labnumber: SC_0369-1368; SBI_ID: SBI-013419
Temperature 308 °C