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4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone
SpectraBase Compound ID G6lPrgegn9E
InChI InChI=1S/C14H9F3N2O3/c15-14(16,17)12-6-9(18-13(20)19-12)3-1-8-2-4-10-11(5-8)22-7-21-10/h1-6H,7H2,(H,18,19,20)/b3-1+
InChIKey RDFHLSJUEQSDRR-HNQUOIGGSA-N
Mol Weight 310.23 g/mol
Molecular Formula C14H9F3N2O3
Exact Mass 310.056527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AcLpe5LSW2e
Name 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-2(3H)-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/C14H9F3N2O3/c15-14(16,17)12-6-9(18-13(20)19-12)3-1-8-2-4-10-11(5-8)22-7-21-10/h1-6H,7H2,(H,18,19,20)/b3-1+
InChIKey RDFHLSJUEQSDRR-HNQUOIGGSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1930
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/8265077; Labnumber: 0220; IOH_ID: IOH-001931
Synonyms 4-[2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone
Temperature 303 °C