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6-(4-fluorobenzyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID E5tOIk5mJtF
InChI InChI=1S/C22H20FN3O2/c1-14-4-8-16(9-5-14)20-19-18(24(2)22(28)25(3)21(19)27)13-26(20)12-15-6-10-17(23)11-7-15/h4-11,13H,12H2,1-3H3
InChIKey XAUQKSYJBCXBRC-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C22H20FN3O2
Exact Mass 377.153955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LF6dXZzVdBM
Name 6-(4-fluorobenzyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-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/C22H20FN3O2/c1-14-4-8-16(9-5-14)20-19-18(24(2)22(28)25(3)21(19)27)13-26(20)12-15-6-10-17(23)11-7-15/h4-11,13H,12H2,1-3H3
InChIKey XAUQKSYJBCXBRC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27925
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: D79588; Labnumber: SC_0129-1238; SBI_ID: SBI-027929
Temperature 306 °C