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(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-fluorophenyl)-2-propenamide

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(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-fluorophenyl)-2-propenamide
SpectraBase Compound ID 7jX3fsiYaxS
InChI InChI=1S/C16H11ClFNO3/c17-11-3-4-13(12(18)8-11)19-16(20)6-2-10-1-5-14-15(7-10)22-9-21-14/h1-8H,9H2,(H,19,20)/b6-2+
InChIKey SENQAXPNFGWOPN-QHHAFSJGSA-N
Mol Weight 319.72 g/mol
Molecular Formula C16H11ClFNO3
Exact Mass 319.041149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gZurdpXub4
Name (2E)-3-(1,3-Benzodioxol-5-yl)-N-(4-chloro-2-fluorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 319.041149078 u
Formula C16H11ClFNO3
InChI InChI=1S/C16H11ClFNO3/c17-11-3-4-13(12(18)8-11)19-16(20)6-2-10-1-5-14-15(7-10)22-9-21-14/h1-8H,9H2,(H,19,20)/b6-2+
InChIKey SENQAXPNFGWOPN-QHHAFSJGSA-N
Molecular Weight 319.719 g/mol
SMILES N(C=1C(=CC(=CC1)Cl)F)C(\C=C\C=1C=C2OCOC2=CC1)=O