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4-[(E)-2-(2-Chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone
SpectraBase Compound ID 1r4X00ijoeH
InChI InChI=1S/C14H10ClF3N2O3/c1-23-11-4-7(9(15)6-10(11)21)2-3-8-5-12(14(16,17)18)20-13(22)19-8/h2-6,21H,1H3,(H,19,20,22)/b3-2+
InChIKey ZVXHONLWZKTYDR-NSCUHMNNSA-N
Mol Weight 346.69 g/mol
Molecular Formula C14H10ClF3N2O3
Exact Mass 346.033204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BVomXHqbrs5
Name 2(1H)-pyrimidinone, 4-[(E)-2-(2-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-6-(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.033204376 u
Formula C14H10ClF3N2O3
InChI InChI=1S/C14H10ClF3N2O3/c1-23-11-4-7(9(15)6-10(11)21)2-3-8-5-12(14(16,17)18)20-13(22)19-8/h2-6,21H,1H3,(H,19,20,22)/b3-2+
InChIKey ZVXHONLWZKTYDR-NSCUHMNNSA-N
Molecular Weight 346.693 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12333
Solvent DMSO-d6
Source Vendor ID: NMR/10272325; Lab Info: SAD; Lab Number: SAD-1902279