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N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethylphenoxy)ethanamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethylphenoxy)ethanamide
SpectraBase Compound ID 8qhdIXZaKrU
InChI InChI=1S/C18H18N2O2/c1-13-9-14(2)11-17(10-13)22-12-18(21)20-16-5-3-15(4-6-16)7-8-19/h3-6,9-11H,7,12H2,1-2H3,(H,20,21)
InChIKey CPOABUIOHJNJFA-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C18H18N2O2
Exact Mass 294.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3I1Wh6SRmU
Name N-[4-(Cyanomethyl)phenyl]-2-(3,5-dimethylphenoxy)ethanamide
Comments Computed using HOSE algorithm
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Exact Mass 294.136827826 u
Formula C18H18N2O2
InChI InChI=1S/C18H18N2O2/c1-13-9-14(2)11-17(10-13)22-12-18(21)20-16-5-3-15(4-6-16)7-8-19/h3-6,9-11H,7,12H2,1-2H3,(H,20,21)
InChIKey CPOABUIOHJNJFA-UHFFFAOYSA-N
Molecular Weight 294.354 g/mol
SMILES CC=1C=C(OCC(NC2=CC=C(CC#N)C=C2)=O)C=C(C)C1