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Carbonic acid, monoamide, N-propyl-N-octadecyl-, but-2-yn-1-yl ester

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Carbonic acid, monoamide, N-propyl-N-octadecyl-, but-2-yn-1-yl ester
SpectraBase Compound ID BqjH6OPEVAj
InChI InChI=1S/C26H49NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(23-6-3)26(28)29-25-8-5-2/h4,6-7,9-25H2,1-3H3
InChIKey XREWWIZSRHSCHM-UHFFFAOYSA-N
Mol Weight 407.7 g/mol
Molecular Formula C26H49NO2
Exact Mass 407.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kzS34B25UW
Name Carbonic acid, monoamide, N-propyl-N-octadecyl-, but-2-yn-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.376329820 u
Formula C26H49NO2
InChI InChI=1S/C26H49NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(23-6-3)26(28)29-25-8-5-2/h4,6-7,9-25H2,1-3H3
InChIKey XREWWIZSRHSCHM-UHFFFAOYSA-N
Molecular Weight 407.683 g/mol
SMILES C(=O)(OCC#CC)N(CCC)CCCCCCCCCCCCCCCCCC