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(5E)-1-sec-butyl-2-thioxo-5-{[3-(trifluoromethyl)anilino]methylene}dihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 2W5KURLwdeI
InChI InChI=1S/C16H16F3N3O2S/c1-3-9(2)22-14(24)12(13(23)21-15(22)25)8-20-11-6-4-5-10(7-11)16(17,18)19/h4-9,20H,3H2,1-2H3,(H,21,23,25)/b12-8+
InChIKey WZJUDUYVANMNHB-XYOKQWHBSA-N
Mol Weight 371.38 g/mol
Molecular Formula C16H16F3N3O2S
Exact Mass 371.091532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AL9kJKCOt00
Name (5E)-1-sec-butyl-2-thioxo-5-{[3-(trifluoromethyl)anilino]methylene}dihydro-4,6(1H,5H)-pyrimidinedione
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/C16H16F3N3O2S/c1-3-9(2)22-14(24)12(13(23)21-15(22)25)8-20-11-6-4-5-10(7-11)16(17,18)19/h4-9,20H,3H2,1-2H3,(H,21,23,25)/b12-8+
InChIKey WZJUDUYVANMNHB-XYOKQWHBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27537
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: D77112; Labnumber: KKA-0211-3792; SBI_ID: SBI-027541
Synonyms 1-sec-butyl-2-thioxo-5-{[3-(trifluoromethyl)anilino]methylene}dihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C