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Pipecolylpipecolic acid, N-ethoxycarbonyl-, tridecyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-ethoxycarbonyl-, tridecyl ester
SpectraBase Compound ID 5WPj9j3qAnR
InChI InChI=1S/C28H50N2O5/c1-3-5-6-7-8-9-10-11-12-13-18-23-35-27(32)25-20-15-16-21-29(25)26(31)24-19-14-17-22-30(24)28(33)34-4-2/h24-25H,3-23H2,1-2H3
InChIKey LIDYMYDVWCBIND-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C28H50N2O5
Exact Mass 494.371973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MeARUkdODx
Name Pipecolylpipecolic acid, N-ethoxycarbonyl-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.371972713 u
Formula C28H50N2O5
InChI InChI=1S/C28H50N2O5/c1-3-5-6-7-8-9-10-11-12-13-18-23-35-27(32)25-20-15-16-21-29(25)26(31)24-19-14-17-22-30(24)28(33)34-4-2/h24-25H,3-23H2,1-2H3
InChIKey LIDYMYDVWCBIND-UHFFFAOYSA-N
Molecular Weight 494.717 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCC)=O)C(C1CCCCN1C(OCC)=O)=O