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Pipecolylpipecolic acid, N-ethoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-ethoxycarbonyl-, heptyl ester
SpectraBase Compound ID 8LJzmm8dGX4
InChI InChI=1S/C22H38N2O5/c1-3-5-6-7-12-17-29-21(26)19-14-9-10-15-23(19)20(25)18-13-8-11-16-24(18)22(27)28-4-2/h18-19H,3-17H2,1-2H3
InChIKey PMVGGHMKJVNVFE-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38N2O5
Exact Mass 410.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kngaa8zKbwx
Name Pipecolylpipecolic acid, N-ethoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.278072327 u
Formula C22H38N2O5
InChI InChI=1S/C22H38N2O5/c1-3-5-6-7-12-17-29-21(26)19-14-9-10-15-23(19)20(25)18-13-8-11-16-24(18)22(27)28-4-2/h18-19H,3-17H2,1-2H3
InChIKey PMVGGHMKJVNVFE-UHFFFAOYSA-N
Molecular Weight 410.555 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCC)=O)C(C1CCCCN1C(OCC)=O)=O