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N-(6-Acetylaminohexyl)-N',N'-dioctylmalonamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-(6-Acetylaminohexyl)-N',N'-dioctylmalonamide
SpectraBase Compound ID IfSXW4WnDu4
InChI InChI=1S/C27H53N3O3/c1-4-6-8-10-14-18-22-30(23-19-15-11-9-7-5-2)27(33)24-26(32)29-21-17-13-12-16-20-28-25(3)31/h4-24H2,1-3H3,(H,28,31)(H,29,32)
InChIKey NEISAPLOHPKTEM-UHFFFAOYSA-N
Mol Weight 467.7 g/mol
Molecular Formula C27H53N3O3
Exact Mass 467.408693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8D6ev3geAer
Name N-(6-Acetylaminohexyl)-N',N'-dioctylmalonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.408692576 u
Formula C27H53N3O3
InChI InChI=1S/C27H53N3O3/c1-4-6-8-10-14-18-22-30(23-19-15-11-9-7-5-2)27(33)24-26(32)29-21-17-13-12-16-20-28-25(3)31/h4-24H2,1-3H3,(H,28,31)(H,29,32)
InChIKey NEISAPLOHPKTEM-UHFFFAOYSA-N
Molecular Weight 467.739 g/mol
SMILES C(CN(C(=O)CC(NCCCCCCNC(=O)C)=O)CCCCCCCC)CCCCCC