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Phthalic acid, monoamide, N,N-diheptyl, ethyl ester

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Phthalic acid, monoamide, N,N-diheptyl, ethyl ester
SpectraBase Compound ID DLh9ad47z7y
InChI InChI=1S/C24H39NO3/c1-4-7-9-11-15-19-25(20-16-12-10-8-5-2)23(26)21-17-13-14-18-22(21)24(27)28-6-3/h13-14,17-18H,4-12,15-16,19-20H2,1-3H3
InChIKey XKYVYAQEZFUBSP-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZJUruvMoIp
Name Phthalic acid, monoamide, N,N-diheptyl, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.292994117 u
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-4-7-9-11-15-19-25(20-16-12-10-8-5-2)23(26)21-17-13-14-18-22(21)24(27)28-6-3/h13-14,17-18H,4-12,15-16,19-20H2,1-3H3
InChIKey XKYVYAQEZFUBSP-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C(N(C(=O)C1=C(C=CC=C1)C(OCC)=O)CCCCCCC)CCCCCC