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

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, monoamide, N,N-diheptyl-, ethyl ester
SpectraBase Compound ID 3WSVat0BG8G
InChI InChI=1S/C24H39NO3/c1-4-7-9-11-13-18-25(19-14-12-10-8-5-2)23(26)21-16-15-17-22(20-21)24(27)28-6-3/h15-17,20H,4-14,18-19H2,1-3H3
InChIKey XKSBGGZZLQNYSN-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 KfkeRbAjwzP
Name Isophthalic 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/c1-4-7-9-11-13-18-25(19-14-12-10-8-5-2)23(26)21-16-15-17-22(20-21)24(27)28-6-3/h15-17,20H,4-14,18-19H2,1-3H3
InChIKey XKSBGGZZLQNYSN-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C1(=CC(=CC=C1)C(N(CCCCCCC)CCCCCCC)=O)C(OCC)=O