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Pipecolic acid, N-butoxycarbonyl-, heptadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Pipecolic acid, N-butoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID ATvHaJ1yHWc
InChI InChI=1S/C28H53NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-27(30)26-22-19-20-23-29(26)28(31)33-24-6-4-2/h26H,3-25H2,1-2H3
InChIKey JCVUFGXBAZZFSW-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 42hTCCN1YXt
Name Pipecolic acid, N-butoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.397459187 u
Formula C28H53NO4
InChI InChI=1S/C28H53NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-27(30)26-22-19-20-23-29(26)28(31)33-24-6-4-2/h26H,3-25H2,1-2H3
InChIKey JCVUFGXBAZZFSW-UHFFFAOYSA-N
Molecular Weight 467.735 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCCCCCC)=O)C(OCCCC)=O