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Glutaric acid, monoamide, N-(2-octyl)-, tetradecyl ester

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Glutaric acid, monoamide, N-(2-octyl)-, tetradecyl ester
SpectraBase Compound ID HcMZP2RVGwp
InChI InChI=1S/C27H53NO3/c1-4-6-8-10-11-12-13-14-15-16-17-19-24-31-27(30)23-20-22-26(29)28-25(3)21-18-9-7-5-2/h25H,4-24H2,1-3H3,(H,28,29)
InChIKey DFNJRMTUBPRYCT-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 3aZr4pq1HYV
Name Glutaric acid, monoamide, N-(2-octyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.402544568 u
Formula C27H53NO3
InChI InChI=1S/C27H53NO3/c1-4-6-8-10-11-12-13-14-15-16-17-19-24-31-27(30)23-20-22-26(29)28-25(3)21-18-9-7-5-2/h25H,4-24H2,1-3H3,(H,28,29)
InChIKey DFNJRMTUBPRYCT-UHFFFAOYSA-N
Molecular Weight 439.725 g/mol
SMILES CC(NC(CCCC(OCCCCCCCCCCCCCC)=O)=O)CCCCCC