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2-propenamide, 2-(acetylamino)-3-(4-fluorophenyl)-N-(4-methylphenyl)-, (2Z)-
SpectraBase Compound ID FntA16cPzQW
InChI InChI=1S/C18H17FN2O2/c1-12-3-9-16(10-4-12)21-18(23)17(20-13(2)22)11-14-5-7-15(19)8-6-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b17-11-
InChIKey AEECMGKZVKJRQB-BOPFTXTBSA-N
Mol Weight 312.34 g/mol
Molecular Formula C18H17FN2O2
Exact Mass 312.127406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZklHdsDC2T
Name 2-Propenamide, 2-(acetylamino)-3-(4-fluorophenyl)-N-(4-methylphenyl)-, (2Z)-
Comments Computed using HOSE algorithm
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Exact Mass 312.127405956 u
Formula C18H17FN2O2
InChI InChI=1S/C18H17FN2O2/c1-12-3-9-16(10-4-12)21-18(23)17(20-13(2)22)11-14-5-7-15(19)8-6-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b17-11-
InChIKey AEECMGKZVKJRQB-BOPFTXTBSA-N
Molecular Weight 312.344 g/mol
SMILES N(C(\C(NC(=O)C)=C/C1=CC=C(C=C1)F)=O)C1=CC=C(C=C1)C