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2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID 40s4CVDLoh5
InChI InChI=1S/C20H13F3N4O3S/c21-20(22,23)30-14-8-6-13(7-9-14)25-16(28)11-31-19-26-17(12-4-2-1-3-5-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)
InChIKey DYEAIHAOGLKZOG-UHFFFAOYSA-N
Mol Weight 446.4 g/mol
Molecular Formula C20H13F3N4O3S
Exact Mass 446.066046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L9QL67I6kjw
Name 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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/C20H13F3N4O3S/c21-20(22,23)30-14-8-6-13(7-9-14)25-16(28)11-31-19-26-17(12-4-2-1-3-5-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)
InChIKey DYEAIHAOGLKZOG-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2629
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/9302727; Labnumber: l-23/0001605