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Pipecolylpipecolic acid, N-propargyloxycarbonyl-, nonyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-propargyloxycarbonyl-, nonyl ester
SpectraBase Compound ID GZ37KOriS5N
InChI InChI=1S/C25H40N2O5/c1-3-5-6-7-8-9-14-20-31-24(29)22-16-11-12-17-26(22)23(28)21-15-10-13-18-27(21)25(30)32-19-4-2/h2,21-22H,3,5-20H2,1H3
InChIKey JIBRCZCLCZHGNM-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H40N2O5
Exact Mass 448.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LupQ80lJTDX
Name Pipecolylpipecolic acid, N-propargyloxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.293722391 u
Formula C25H40N2O5
InChI InChI=1S/C25H40N2O5/c1-3-5-6-7-8-9-14-20-31-24(29)22-16-11-12-17-26(22)23(28)21-15-10-13-18-27(21)25(30)32-19-4-2/h2,21-22H,3,5-20H2,1H3
InChIKey JIBRCZCLCZHGNM-UHFFFAOYSA-N
Molecular Weight 448.604 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCC)=O)C(C1CCCCN1C(OCC#C)=O)=O