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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s7fbJ5bOFX
Name 4-[(E)-2-[4-(2-fluorobenzyl)oxy-3-methoxy-phenyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES N1C(=CC(=NC1=O)\C=C\c1cc(OC)c(cc1)OCc1c(F)cccc1)C(F)(F)F
SPLASH splash10-0a4i-1911100000-5ca73afa419fd009ca04
Synonyms 4-[(E)-2-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one 4-[(E)-2-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Wiley ID 1463386