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Terephthalic acid, monoamide, N,N-diphenyl-, pentyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, monoamide, N,N-diphenyl-, pentyl ester
SpectraBase Compound ID HgbKQkknal4
InChI InChI=1S/C25H25NO3/c1-2-3-10-19-29-25(28)21-17-15-20(16-18-21)24(27)26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-18H,2-3,10,19H2,1H3
InChIKey YUTFYFGJUPXJHO-UHFFFAOYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C25H25NO3
Exact Mass 387.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWpMP4eGUMj
Name Terephthalic acid, monoamide, N,N-diphenyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.183443666 u
Formula C25H25NO3
InChI InChI=1S/C25H25NO3/c1-2-3-10-19-29-25(28)21-17-15-20(16-18-21)24(27)26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-18H,2-3,10,19H2,1H3
InChIKey YUTFYFGJUPXJHO-UHFFFAOYSA-N
Molecular Weight 387.479 g/mol
SMILES CCCCCOC(C1=CC=C(C(N(C2=CC=CC=C2)C2=CC=CC=C2)=O)C=C1)=O