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4-[(E)-2-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID 7TMYVU1uqFk
InChI InChI=1S/C17H12BrF3N2O3/c1-3-6-26-14-9-12(18)10(7-13(14)25-2)4-5-11-8-15(17(19,20)21)23-16(24)22-11/h1,4-5,7-9H,6H2,2H3,(H,22,23,24)/b5-4+
InChIKey WJTQMGJLANCMNF-SNAWJCMRSA-N
Mol Weight 429.19 g/mol
Molecular Formula C17H12BrF3N2O3
Exact Mass 427.99834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A97UQqaBgZs
Name 4-[(E)-2-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12BrF3N2O3
InChI InChI=1S/C17H12BrF3N2O3/c1-3-6-26-14-9-12(18)10(7-13(14)25-2)4-5-11-8-15(17(19,20)21)23-16(24)22-11/h1,4-5,7-9H,6H2,2H3,(H,22,23,24)/b5-4+
InChIKey WJTQMGJLANCMNF-SNAWJCMRSA-N
Molecular Weight 429.193 g/mol
SMILES N1C(=CC(=NC1=O)\C=C\c1c(cc(c(c1)OC)OCC#C)Br)C(F)(F)F
SPLASH splash10-0002-0259000000-77969247b5911a3dea22
Synonyms 4-[(E)-2-(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one 4-[(E)-2-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one 4-[(E)-2-(2-bromo-5-methoxy-4-propargyloxy-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Wiley ID 1463396