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1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID 7upClzKByFv
InChI InChI=1S/C21H16F3N3O2/c1-25-16-12-27(15-10-6-9-14(11-15)21(22,23)24)18(13-7-4-3-5-8-13)17(16)19(28)26(2)20(25)29/h3-12H,1-2H3
InChIKey STZFXXBVDJEEGG-UHFFFAOYSA-N
Mol Weight 399.37 g/mol
Molecular Formula C21H16F3N3O2
Exact Mass 399.119461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yyVvp9Mnv5
Name 1,3-dimethyl-5-phenyl-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/C21H16F3N3O2/c1-25-16-12-27(15-10-6-9-14(11-15)21(22,23)24)18(13-7-4-3-5-8-13)17(16)19(28)26(2)20(25)29/h3-12H,1-2H3
InChIKey STZFXXBVDJEEGG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22712
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: D35723; Labnumber: RRSHE-0095; SBI_ID: SBI-022716
Temperature 306 °C