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3-(2,4-Difluorophenyl)-1-(4-methyl-2-pyridin-3-yl-thiazol-5-yl)-propenone

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3-(2,4-Difluorophenyl)-1-(4-methyl-2-pyridin-3-yl-thiazol-5-yl)-propenone
SpectraBase Compound ID Bb5QOK7sMna
InChI InChI=1S/C18H12F2N2OS/c1-11-17(24-18(22-11)13-3-2-8-21-10-13)16(23)7-5-12-4-6-14(19)9-15(12)20/h2-10H,1H3/b7-5+
InChIKey PWRHSYILMHCYBR-FNORWQNLSA-N
Mol Weight 342.36 g/mol
Molecular Formula C18H12F2N2OS
Exact Mass 342.063841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHgULBU0PJz
Name 3-(2,4-Difluorophenyl)-1-(4-methyl-2-pyridin-3-yl-thiazol-5-yl)-propenone
Comments Computed using HOSE algorithm
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Exact Mass 342.063840513 u
Formula C18H12F2N2OS
InChI InChI=1S/C18H12F2N2OS/c1-11-17(24-18(22-11)13-3-2-8-21-10-13)16(23)7-5-12-4-6-14(19)9-15(12)20/h2-10H,1H3/b7-5+
InChIKey PWRHSYILMHCYBR-FNORWQNLSA-N
Molecular Weight 342.364 g/mol
SMILES C=1(SC(C=2C=NC=CC2)=NC1C)C(\C=C\C=1C(=CC(=CC1)F)F)=O