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4-[(E)-2-(3-ethoxy-4-phenylmethoxy-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID 7eYlk3InI8g
InChI InChI=1S/C22H19F3N2O3/c1-2-29-19-12-15(9-11-18(19)30-14-16-6-4-3-5-7-16)8-10-17-13-20(22(23,24)25)27-21(28)26-17/h3-13H,2,14H2,1H3,(H,26,27,28)/b10-8+
InChIKey YZYZAGWYPOJNOF-CSKARUKUSA-N
Mol Weight 416.4 g/mol
Molecular Formula C22H19F3N2O3
Exact Mass 416.134777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4vmBNYqX2cf
Name 2(1H)-pyrimidinone, 4-[(E)-2-[3-ethoxy-4-(phenylmethoxy)phenyl]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 416.134776966 u
Formula C22H19F3N2O3
InChI InChI=1S/C22H19F3N2O3/c1-2-29-19-12-15(9-11-18(19)30-14-16-6-4-3-5-7-16)8-10-17-13-20(22(23,24)25)27-21(28)26-17/h3-13H,2,14H2,1H3,(H,26,27,28)/b10-8+
InChIKey YZYZAGWYPOJNOF-CSKARUKUSA-N
Molecular Weight 416.400 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10340
Solvent DMSO-d6
Source Vendor ID: NMR/10241198; Lab Info: SAD; Lab Number: SAD-0001838