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(2E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-(4-methylphenyl)-2-propen-1-one
SpectraBase Compound ID IAzHPvhAIwN
InChI InChI=1S/C19H18F2O3/c1-3-23-18-12-14(7-11-17(18)24-19(20)21)6-10-16(22)15-8-4-13(2)5-9-15/h4-12,19H,3H2,1-2H3/b10-6+
InChIKey MTSROBVDZIZPSH-UXBLZVDNSA-N
Mol Weight 332.35 g/mol
Molecular Formula C19H18F2O3
Exact Mass 332.122401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bbmnFcYJbL
Name (2E)-3-[4-(Difluoromethoxy)-3-ethoxyphenyl]-1-(4-methylphenyl)-2-propen-1-one
Comments Computed using HOSE algorithm
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Exact Mass 332.122400763 u
Formula C19H18F2O3
InChI InChI=1S/C19H18F2O3/c1-3-23-18-12-14(7-11-17(18)24-19(20)21)6-10-16(22)15-8-4-13(2)5-9-15/h4-12,19H,3H2,1-2H3/b10-6+
InChIKey MTSROBVDZIZPSH-UXBLZVDNSA-N
Molecular Weight 332.347 g/mol
SMILES C(\C=C\C=1C=C(OCC)C(=CC1)OC(F)F)(C=1C=CC(=CC1)C)=O