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Pipecolic acid, N-octyloxycarbonyl-, undecyl ester

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Pipecolic acid, N-octyloxycarbonyl-, undecyl ester
SpectraBase Compound ID GSRQPfBIrTc
InChI InChI=1S/C26H49NO4/c1-3-5-7-9-11-12-13-15-18-22-30-25(28)24-20-16-17-21-27(24)26(29)31-23-19-14-10-8-6-4-2/h24H,3-23H2,1-2H3
InChIKey PTSSMXITPGQEHQ-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xnpUZhvHNZ
Name Pipecolic acid, N-octyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-3-5-7-9-11-12-13-15-18-22-30-25(28)24-20-16-17-21-27(24)26(29)31-23-19-14-10-8-6-4-2/h24H,3-23H2,1-2H3
InChIKey PTSSMXITPGQEHQ-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCC)=O)C(OCCCCCCCC)=O