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Pipecolic acid, N-hexyloxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 56AEDWmensp
InChI InChI=1S/C28H53NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-24-32-27(30)26-22-18-19-23-29(26)28(31)33-25-20-8-6-4-2/h26H,3-25H2,1-2H3
InChIKey RAENSJVBBGPWBL-UHFFFAOYSA-N
Mol Weight 467.7 g/mol
Molecular Formula C28H53NO4
Exact Mass 467.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2muibCEw0ge
Name Pipecolic acid, N-hexyloxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.397459187 u
Formula C28H53NO4
InChI InChI=1S/C28H53NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-24-32-27(30)26-22-18-19-23-29(26)28(31)33-25-20-8-6-4-2/h26H,3-25H2,1-2H3
InChIKey RAENSJVBBGPWBL-UHFFFAOYSA-N
Molecular Weight 467.735 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCCCC)=O)C(OCCCCCC)=O