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Phthalic acid, monoamide, N,N-dioctyl, octyl ester

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Phthalic acid, monoamide, N,N-dioctyl, octyl ester
SpectraBase Compound ID AsGKiKbM4BE
InChI InChI=1S/C32H55NO3/c1-4-7-10-13-16-21-26-33(27-22-17-14-11-8-5-2)31(34)29-24-19-20-25-30(29)32(35)36-28-23-18-15-12-9-6-3/h19-20,24-25H,4-18,21-23,26-28H2,1-3H3
InChIKey FRHBCJYDSLSERI-UHFFFAOYSA-N
Mol Weight 501.8 g/mol
Molecular Formula C32H55NO3
Exact Mass 501.418195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApvM93l7c0w
Name Phthalic acid, monoamide, N,N-dioctyl, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 501.418194632 u
Formula C32H55NO3
InChI InChI=1S/C32H55NO3/c1-4-7-10-13-16-21-26-33(27-22-17-14-11-8-5-2)31(34)29-24-19-20-25-30(29)32(35)36-28-23-18-15-12-9-6-3/h19-20,24-25H,4-18,21-23,26-28H2,1-3H3
InChIKey FRHBCJYDSLSERI-UHFFFAOYSA-N
Molecular Weight 501.796 g/mol
SMILES CCCCCCCCOC(C1=C(C(N(CCCCCCCC)CCCCCCCC)=O)C=CC=C1)=O