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4-[(E)-2-[4-(2-fluorobenzyl)oxy-3-methoxy-phenyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID 34rWSNYXRlH
InChI InChI=1S/C21H16F4N2O3/c1-29-18-10-13(6-8-15-11-19(21(23,24)25)27-20(28)26-15)7-9-17(18)30-12-14-4-2-3-5-16(14)22/h2-11H,12H2,1H3,(H,26,27,28)/b8-6+
InChIKey RUPJKAAUKLCARO-SOFGYWHQSA-N
Mol Weight 420.36 g/mol
Molecular Formula C21H16F4N2O3
Exact Mass 420.109705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AhTJ5MUQZN2
Name 2(1H)-pyrimidinone, 4-[(E)-2-[4-[(2-fluorophenyl)methoxy]-3-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 420.109705032 u
Formula C21H16F4N2O3
InChI InChI=1S/C21H16F4N2O3/c1-29-18-10-13(6-8-15-11-19(21(23,24)25)27-20(28)26-15)7-9-17(18)30-12-14-4-2-3-5-16(14)22/h2-11H,12H2,1H3,(H,26,27,28)/b8-6+
InChIKey RUPJKAAUKLCARO-SOFGYWHQSA-N
Molecular Weight 420.364 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15113
Solvent DMSO-d6
Source Vendor ID: NMR/10311135; Lab Info: SAD; Lab Number: SAD-002637