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2-fluoro-N-(4-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}phenyl)benzamide
SpectraBase Compound ID JIjMjkB6WmZ
InChI InChI=1S/C23H18FNO2S/c1-28-19-13-6-16(7-14-19)8-15-22(26)17-9-11-18(12-10-17)25-23(27)20-4-2-3-5-21(20)24/h2-15H,1H3,(H,25,27)/b15-8+
InChIKey VOKAUGRLRKAITH-OVCLIPMQSA-N
Mol Weight 391.46 g/mol
Molecular Formula C23H18FNO2S
Exact Mass 391.104228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BT47KZQUcD
Name 2-Fluoro-N-(4-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 391.104228159 u
Formula C23H18FNO2S
InChI InChI=1S/C23H18FNO2S/c1-28-19-13-6-16(7-14-19)8-15-22(26)17-9-11-18(12-10-17)25-23(27)20-4-2-3-5-21(20)24/h2-15H,1H3,(H,25,27)/b15-8+
InChIKey VOKAUGRLRKAITH-OVCLIPMQSA-N
Molecular Weight 391.460 g/mol
SMILES N(C(C1=C(F)C=CC=C1)=O)C=1C=CC(C(\C=C\C=2C=CC(=CC2)SC)=O)=CC1