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(2E)-3-(4-chlorophenyl)-N-[1-(4-methylphenyl)propyl]-2-propenamide
SpectraBase Compound ID 2u3YOJYzZr
InChI InChI=1S/C19H20ClNO/c1-3-18(16-9-4-14(2)5-10-16)21-19(22)13-8-15-6-11-17(20)12-7-15/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-8+
InChIKey KVNUPRACGMWHPF-MDWZMJQESA-N
Mol Weight 313.83 g/mol
Molecular Formula C19H20ClNO
Exact Mass 313.123342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1OjLM6vodc
Name (2E)-3-(4-Chlorophenyl)-N-[1-(4-methylphenyl)propyl]-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 313.123341967 u
Formula C19H20ClNO
InChI InChI=1S/C19H20ClNO/c1-3-18(16-9-4-14(2)5-10-16)21-19(22)13-8-15-6-11-17(20)12-7-15/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-8+
InChIKey KVNUPRACGMWHPF-MDWZMJQESA-N
SMILES N(C(C1=CC=C(C=C1)C)CC)C(\C=C\C=1C=CC(=CC1)Cl)=O