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Terephthalic acid, monoamide, N-methyl-N-phenyl-, hexyl ester

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Terephthalic acid, monoamide, N-methyl-N-phenyl-, hexyl ester
SpectraBase Compound ID 579aNSq6ewx
InChI InChI=1S/C21H25NO3/c1-3-4-5-9-16-25-21(24)18-14-12-17(13-15-18)20(23)22(2)19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16H2,1-2H3
InChIKey ICWKLHCXSMSGSE-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9F2vWLnjJvO
Name Terephthalic acid, monoamide, N-methyl-N-phenyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-3-4-5-9-16-25-21(24)18-14-12-17(13-15-18)20(23)22(2)19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16H2,1-2H3
InChIKey ICWKLHCXSMSGSE-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES CCCCCCOC(C1=CC=C(C(N(C)C2=CC=CC=C2)=O)C=C1)=O