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

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Terephthalic acid, monoamide, N-methyl-N-phenyl-, pentyl ester
SpectraBase Compound ID 9PvKDGsdtDm
InChI InChI=1S/C20H23NO3/c1-3-4-8-15-24-20(23)17-13-11-16(12-14-17)19(22)21(2)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15H2,1-2H3
InChIKey JZKVURZLPNADDP-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hxfW7GqtWu
Name Terephthalic acid, monoamide, N-methyl-N-phenyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-3-4-8-15-24-20(23)17-13-11-16(12-14-17)19(22)21(2)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15H2,1-2H3
InChIKey JZKVURZLPNADDP-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES CCCCCOC(C1=CC=C(C(N(C)C2=CC=CC=C2)=O)C=C1)=O