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4-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID EWruq3DtrGJ
InChI InChI=1S/C14H8F3N3O5/c15-14(16,17)12-4-8(18-13(21)19-12)2-1-7-3-10-11(25-6-24-10)5-9(7)20(22)23/h1-5H,6H2,(H,18,19,21)/b2-1+
InChIKey SXEBXHPBLPTMGI-OWOJBTEDSA-N
Mol Weight 355.23 g/mol
Molecular Formula C14H8F3N3O5
Exact Mass 355.041605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9kmpoVUfZb7
Name 2(3H)-pyrimidinone, 4-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-
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/C14H8F3N3O5/c15-14(16,17)12-4-8(18-13(21)19-12)2-1-7-3-10-11(25-6-24-10)5-9(7)20(22)23/h1-5H,6H2,(H,18,19,21)/b2-1+
InChIKey SXEBXHPBLPTMGI-OWOJBTEDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_316
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: AG-205/5100878; Labnumber: SAD-st1935; IOH_ID: IOH-007317