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6-(4-fluorobenzyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione compound with methane (1:1)
SpectraBase Compound ID 1Zxm6b7g8DH
InChI InChI=1S/C21H18FN3O2.CH4/c1-23-17-13-25(12-14-8-10-16(22)11-9-14)19(15-6-4-3-5-7-15)18(17)20(26)24(2)21(23)27;/h3-11,13H,12H2,1-2H3;1H4
InChIKey MHLLYNSMPJGAKO-UHFFFAOYSA-N
Mol Weight 379.44 g/mol
Molecular Formula C22H22FN3O2
Exact Mass 379.169605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 52sVo0D8qdA
Name 6-(4-fluorobenzyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione compound with methane (1:1)
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/C21H18FN3O2.CH4/c1-23-17-13-25(12-14-8-10-16(22)11-9-14)19(15-6-4-3-5-7-15)18(17)20(26)24(2)21(23)27;/h3-11,13H,12H2,1-2H3;1H4
InChIKey MHLLYNSMPJGAKO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27924
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: D79587; Labnumber: SC_0129-1237; SBI_ID: SBI-027928
Temperature 306 °C