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(5E)-1-(4-fluorobenzyl)-2-thioxo-5-{[3-(trifluoromethyl)anilino]methylene}dihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID Forbs11pXO4
InChI InChI=1S/C19H13F4N3O2S/c20-13-6-4-11(5-7-13)10-26-17(28)15(16(27)25-18(26)29)9-24-14-3-1-2-12(8-14)19(21,22)23/h1-9,24H,10H2,(H,25,27,29)/b15-9+
InChIKey VKBZZMLZXPNZHY-OQLLNIDSSA-N
Mol Weight 423.39 g/mol
Molecular Formula C19H13F4N3O2S
Exact Mass 423.06646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ITZw3PmH4v5
Name (5E)-1-(4-fluorobenzyl)-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/C19H13F4N3O2S/c20-13-6-4-11(5-7-13)10-26-17(28)15(16(27)25-18(26)29)9-24-14-3-1-2-12(8-14)19(21,22)23/h1-9,24H,10H2,(H,25,27,29)/b15-9+
InChIKey VKBZZMLZXPNZHY-OQLLNIDSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27535
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: D77103; Labnumber: KKA-0211-2490; SBI_ID: SBI-027539
Synonyms 1-(4-fluorobenzyl)-2-thioxo-5-{[3-(trifluoromethyl)anilino]methylene}dihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C