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Adipic acid, monoamide, N,N-dihexyl-, undecyl ester

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Adipic acid, monoamide, N,N-dihexyl-, undecyl ester
SpectraBase Compound ID 1QdspdogTrw
InChI InChI=1S/C29H57NO3/c1-4-7-10-13-14-15-16-17-22-27-33-29(32)24-19-18-23-28(31)30(25-20-11-8-5-2)26-21-12-9-6-3/h4-27H2,1-3H3
InChIKey RBNYUKWXERXENE-UHFFFAOYSA-N
Mol Weight 467.8 g/mol
Molecular Formula C29H57NO3
Exact Mass 467.433845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwMgEJs4SkO
Name Adipic acid, monoamide, N,N-dihexyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.433844696 u
Formula C29H57NO3
InChI InChI=1S/C29H57NO3/c1-4-7-10-13-14-15-16-17-22-27-33-29(32)24-19-18-23-28(31)30(25-20-11-8-5-2)26-21-12-9-6-3/h4-27H2,1-3H3
InChIKey RBNYUKWXERXENE-UHFFFAOYSA-N
Molecular Weight 467.779 g/mol
SMILES C(CCCC(=O)N(CCCCCC)CCCCCC)C(OCCCCCCCCCCC)=O