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4-{(E)-2-[4-(methylsulfanyl)phenyl]ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
SpectraBase Compound ID 5HiVN89iBvL
InChI InChI=1S/C14H11F3N2OS/c1-21-11-6-3-9(4-7-11)2-5-10-8-12(14(15,16)17)19-13(20)18-10/h2-8H,1H3,(H,18,19,20)/b5-2+
InChIKey BDOJNUWRBGYBBQ-GORDUTHDSA-N
Mol Weight 312.31 g/mol
Molecular Formula C14H11F3N2OS
Exact Mass 312.054419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K7bOP3SaiCZ
Name 4-{(E)-2-[4-(methylsulfanyl)phenyl]ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
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/C14H11F3N2OS/c1-21-11-6-3-9(4-7-11)2-5-10-8-12(14(15,16)17)19-13(20)18-10/h2-8H,1H3,(H,18,19,20)/b5-2+
InChIKey BDOJNUWRBGYBBQ-GORDUTHDSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_449
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: ZI/8120818; Labnumber: SAD-1500087
Temperature 313 °C