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

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Terephthalic acid, monoamide, N,N-diphenyl-, isohexyl ester
SpectraBase Compound ID 3b39A9u3Ty9
InChI InChI=1S/C26H27NO3/c1-20(2)10-9-19-30-26(29)22-17-15-21(16-18-22)25(28)27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-18,20H,9-10,19H2,1-2H3
InChIKey UXPXEESQOMEHQE-UHFFFAOYSA-N
Mol Weight 401.51 g/mol
Molecular Formula C26H27NO3
Exact Mass 401.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BYwAbKKfmb
Name Terephthalic acid, monoamide, N,N-diphenyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.199093730 u
Formula C26H27NO3
InChI InChI=1S/C26H27NO3/c1-20(2)10-9-19-30-26(29)22-17-15-21(16-18-22)25(28)27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-18,20H,9-10,19H2,1-2H3
InChIKey UXPXEESQOMEHQE-UHFFFAOYSA-N
Molecular Weight 401.506 g/mol
SMILES CC(C)CCCOC(C1=CC=C(C(N(C2=CC=CC=C2)C2=CC=CC=C2)=O)C=C1)=O