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8-(benzylamino)-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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8-(benzylamino)-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Fo7HjwTXyZT
InChI InChI=1S/C21H20FN5O2/c1-25-17-18(24-20(25)23-12-14-6-4-3-5-7-14)26(2)21(29)27(19(17)28)13-15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKey HILQKYCUVLBKQT-UHFFFAOYSA-N
Mol Weight 393.42 g/mol
Molecular Formula C21H20FN5O2
Exact Mass 393.160103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K6BMdCiCsoP
Name 8-(benzylamino)-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-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/C21H20FN5O2/c1-25-17-18(24-20(25)23-12-14-6-4-3-5-7-14)26(2)21(29)27(19(17)28)13-15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKey HILQKYCUVLBKQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29041
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: D90852; Labnumber: LRP02-0803; SBI_ID: SBI-029045
Temperature 308 °C