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1,3-dimethyl-5-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID AaPYvAGCJFO
InChI InChI=1S/C22H18F3N3O2/c1-13-7-9-14(10-8-13)19-18-17(26(2)21(30)27(3)20(18)29)12-28(19)16-6-4-5-15(11-16)22(23,24)25/h4-12H,1-3H3
InChIKey JRGCFQSFJWHMTI-UHFFFAOYSA-N
Mol Weight 413.4 g/mol
Molecular Formula C22H18F3N3O2
Exact Mass 413.135111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1v7bZtVh5c0
Name 1,3-dimethyl-5-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-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/C22H18F3N3O2/c1-13-7-9-14(10-8-13)19-18-17(26(2)21(30)27(3)20(18)29)12-28(19)16-6-4-5-15(11-16)22(23,24)25/h4-12H,1-3H3
InChIKey JRGCFQSFJWHMTI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22740
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: D35755; Labnumber: RRSHE-0138; SBI_ID: SBI-022744
Temperature 306 °C