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Terephthalic acid, monoamide, N,N-diphenyl-, butyl ester
SpectraBase Compound ID H5RPSe4PSec
InChI InChI=1S/C24H23NO3/c1-2-3-18-28-24(27)20-16-14-19(15-17-20)23(26)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,2-3,18H2,1H3
InChIKey WLOHOSBCXMEBNA-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C24H23NO3
Exact Mass 373.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FawisbUzKJ
Name Terephthalic acid, monoamide, N,N-diphenyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.167793602 u
Formula C24H23NO3
InChI InChI=1S/C24H23NO3/c1-2-3-18-28-24(27)20-16-14-19(15-17-20)23(26)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,2-3,18H2,1H3
InChIKey WLOHOSBCXMEBNA-UHFFFAOYSA-N
Molecular Weight 373.452 g/mol
SMILES CCCCOC(C1=CC=C(C(N(C2=CC=CC=C2)C2=CC=CC=C2)=O)C=C1)=O