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Pipecolylpipecolic acid, N-butoxycarbonyl-, butyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-butoxycarbonyl-, butyl ester
SpectraBase Compound ID 6ZJzGq1pVg6
InChI InChI=1S/C21H36N2O5/c1-3-5-15-27-20(25)18-12-8-9-13-22(18)19(24)17-11-7-10-14-23(17)21(26)28-16-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey WFYHJQUXZLBDSL-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H36N2O5
Exact Mass 396.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8m3nxFo6ErB
Name Pipecolylpipecolic acid, N-butoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.262422262 u
Formula C21H36N2O5
InChI InChI=1S/C21H36N2O5/c1-3-5-15-27-20(25)18-12-8-9-13-22(18)19(24)17-11-7-10-14-23(17)21(26)28-16-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey WFYHJQUXZLBDSL-UHFFFAOYSA-N
Molecular Weight 396.528 g/mol
SMILES C1CCN(C(C1)C(OCCCC)=O)C(C1CCCCN1C(OCCCC)=O)=O