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

View entire compound with spectra: 1 NMR

Phthalic acid, monoamide, N,N-dioctyl, heptyl ester
SpectraBase Compound ID LhjAhLuXz5Z
InChI InChI=1S/C31H53NO3/c1-4-7-10-13-15-20-25-32(26-21-16-14-11-8-5-2)30(33)28-23-18-19-24-29(28)31(34)35-27-22-17-12-9-6-3/h18-19,23-24H,4-17,20-22,25-27H2,1-3H3
InChIKey ZAJHCPWTGBCSQO-UHFFFAOYSA-N
Mol Weight 487.8 g/mol
Molecular Formula C31H53NO3
Exact Mass 487.402545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MhajpDneGY
Name Phthalic acid, monoamide, N,N-dioctyl, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 487.402544568 u
Formula C31H53NO3
InChI InChI=1S/C31H53NO3/c1-4-7-10-13-15-20-25-32(26-21-16-14-11-8-5-2)30(33)28-23-18-19-24-29(28)31(34)35-27-22-17-12-9-6-3/h18-19,23-24H,4-17,20-22,25-27H2,1-3H3
InChIKey ZAJHCPWTGBCSQO-UHFFFAOYSA-N
Molecular Weight 487.769 g/mol
SMILES CCCCCCCOC(C1=C(C(N(CCCCCCCC)CCCCCCCC)=O)C=CC=C1)=O