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(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
SpectraBase Compound ID HDkL4CUm4WI
InChI InChI=1S/C20H15BrN2O2S/c1-24-18-8-3-13(10-19(18)25-2)9-15(11-22)20-23-17(12-26-20)14-4-6-16(21)7-5-14/h3-10,12H,1-2H3/b15-9+
InChIKey FSGKHCWZBYLSIV-OQLLNIDSSA-N
Mol Weight 427.32 g/mol
Molecular Formula C20H15BrN2O2S
Exact Mass 426.003762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFXEG2CHkpC
Name (E)-2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Comments Computed using HOSE algorithm
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Exact Mass 426.003761903 u
Formula C20H15BrN2O2S
InChI InChI=1S/C20H15BrN2O2S/c1-24-18-8-3-13(10-19(18)25-2)9-15(11-22)20-23-17(12-26-20)14-4-6-16(21)7-5-14/h3-10,12H,1-2H3/b15-9+
InChIKey FSGKHCWZBYLSIV-OQLLNIDSSA-N
Molecular Weight 427.316 g/mol
SMILES COC=1C=CC(\C=C\(C2=NC(=CS2)C2=CC=C(C=C2)Br)C#N)=CC1OC