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2(1H)-pyrimidinone, 4-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-
SpectraBase Compound ID e4SL8v01yE
InChI InChI=1S/C13H7ClF3N3O3/c14-10-4-3-9(20(22)23)5-7(10)1-2-8-6-11(13(15,16)17)19-12(21)18-8/h1-6H,(H,18,19,21)/b2-1+
InChIKey MJQNHKBQLBCQNA-OWOJBTEDSA-N
Mol Weight 345.67 g/mol
Molecular Formula C13H7ClF3N3O3
Exact Mass 345.012803 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5c2PeFTPIie
Name 2(1H)-pyrimidinone, 4-[(E)-2-(2-chloro-5-nitrophenyl)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/C13H7ClF3N3O3/c14-10-4-3-9(20(22)23)5-7(10)1-2-8-6-11(13(15,16)17)19-12(21)18-8/h1-6H,(H,18,19,21)/b2-1+
InChIKey MJQNHKBQLBCQNA-OWOJBTEDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6529
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/6064397; Labnumber: LP-320222; IOH_ID: IOH-013533