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Terephthalic acid, monoamide, N,N-diphenyl-, isobutyl ester
SpectraBase Compound ID BtTfUndMTl0
InChI InChI=1S/C24H23NO3/c1-18(2)17-28-24(27)20-15-13-19(14-16-20)23(26)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18H,17H2,1-2H3
InChIKey YNCAZRNFMIJBKB-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 AXZdmykcawB
Name Terephthalic acid, monoamide, N,N-diphenyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.167793602 u
Formula C24H23NO3
InChI InChI=1S/C24H23NO3/c1-18(2)17-28-24(27)20-15-13-19(14-16-20)23(26)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18H,17H2,1-2H3
InChIKey YNCAZRNFMIJBKB-UHFFFAOYSA-N
Molecular Weight 373.452 g/mol
SMILES CC(C)COC(C1=CC=C(C(N(C2=CC=CC=C2)C2=CC=CC=C2)=O)C=C1)=O