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7-(2-fluorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FacVTuQ6P6u
InChI InChI=1S/C22H22FN5O3/c1-26-19-18(20(29)27(2)22(26)30)28(13-15-6-4-5-7-17(15)23)21(25-19)24-12-14-8-10-16(31-3)11-9-14/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey FWBFZWREFYYLMC-UHFFFAOYSA-N
Mol Weight 423.45 g/mol
Molecular Formula C22H22FN5O3
Exact Mass 423.170668 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39CVfMGcT61
Name 7-(2-fluorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-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/C22H22FN5O3/c1-26-19-18(20(29)27(2)22(26)30)28(13-15-6-4-5-7-17(15)23)21(25-19)24-12-14-8-10-16(31-3)11-9-14/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey FWBFZWREFYYLMC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25694
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: D60575; Labnumber: LRP02-0415; SBI_ID: SBI-025698
Temperature 308 °C