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1H-purine-2,6-dione, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID 2PJQqHzFkbe
InChI InChI=1S/C22H20FN5O4/c1-26-19-18(20(29)27(2)22(26)30)28(11-14-5-3-4-6-15(14)23)21(25-19)24-10-13-7-8-16-17(9-13)32-12-31-16/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKey GIBLGVWWFIPENH-UHFFFAOYSA-N
Mol Weight 437.43 g/mol
Molecular Formula C22H20FN5O4
Exact Mass 437.149932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 73WKwoO2Ai2
Name 1H-purine-2,6-dione, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
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/C22H20FN5O4/c1-26-19-18(20(29)27(2)22(26)30)28(11-14-5-3-4-6-15(14)23)21(25-19)24-10-13-7-8-16-17(9-13)32-12-31-16/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKey GIBLGVWWFIPENH-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3012
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: NMR/10218803