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Phthalic acid, monoamide, N,N-dinonyl, isohexyl ester
SpectraBase Compound ID F1PkZu9FIk0
InChI InChI=1S/C32H55NO3/c1-5-7-9-11-13-15-19-25-33(26-20-16-14-12-10-8-6-2)31(34)29-23-17-18-24-30(29)32(35)36-27-21-22-28(3)4/h17-18,23-24,28H,5-16,19-22,25-27H2,1-4H3
InChIKey PVXVTEDVGNWBRD-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 8ss7g5N3LT1
Name Phthalic acid, monoamide, N,N-dinonyl, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 501.418194632 u
Formula C32H55NO3
InChI InChI=1S/C32H55NO3/c1-5-7-9-11-13-15-19-25-33(26-20-16-14-12-10-8-6-2)31(34)29-23-17-18-24-30(29)32(35)36-27-21-22-28(3)4/h17-18,23-24,28H,5-16,19-22,25-27H2,1-4H3
InChIKey PVXVTEDVGNWBRD-UHFFFAOYSA-N
Molecular Weight 501.796 g/mol
SMILES CC(C)CCCOC(C1=C(C(N(CCCCCCCCC)CCCCCCCCC)=O)C=CC=C1)=O