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Succinic acid, monoamide, N,N-di(2-ethylhexyl)-, heptyl ester

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Succinic acid, monoamide, N,N-di(2-ethylhexyl)-, heptyl ester
SpectraBase Compound ID LE5hWK01Kur
InChI InChI=1S/C27H53NO3/c1-6-11-14-15-16-21-31-27(30)20-19-26(29)28(22-24(9-4)17-12-7-2)23-25(10-5)18-13-8-3/h24-25H,6-23H2,1-5H3
InChIKey FMTOHNQXMTZYOK-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C27H53NO3
Exact Mass 439.402545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sN8ucybItn
Name Succinic acid, monoamide, N,N-di(2-ethylhexyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.402544568 u
Formula C27H53NO3
InChI InChI=1S/C27H53NO3/c1-6-11-14-15-16-21-31-27(30)20-19-26(29)28(22-24(9-4)17-12-7-2)23-25(10-5)18-13-8-3/h24-25H,6-23H2,1-5H3
InChIKey FMTOHNQXMTZYOK-UHFFFAOYSA-N
Molecular Weight 439.725 g/mol
SMILES C(CN(C(CCC(OCCCCCCC)=O)=O)CC(CCCC)CC)(CCCC)CC