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Pipecolylpipecolic acid, N-propargyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-propargyloxycarbonyl-, hexyl ester
SpectraBase Compound ID LMhJFHQXsgT
InChI InChI=1S/C22H34N2O5/c1-3-5-6-11-17-28-21(26)19-13-8-9-14-23(19)20(25)18-12-7-10-15-24(18)22(27)29-16-4-2/h2,18-19H,3,5-17H2,1H3
InChIKey VCTWFEJBNNEBJA-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H34N2O5
Exact Mass 406.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GNzj6rWi0k
Name Pipecolylpipecolic acid, N-propargyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.246772198 u
Formula C22H34N2O5
InChI InChI=1S/C22H34N2O5/c1-3-5-6-11-17-28-21(26)19-13-8-9-14-23(19)20(25)18-12-7-10-15-24(18)22(27)29-16-4-2/h2,18-19H,3,5-17H2,1H3
InChIKey VCTWFEJBNNEBJA-UHFFFAOYSA-N
Molecular Weight 406.523 g/mol
SMILES C1CCN(C(C1)C(OCCCCCC)=O)C(C1CCCCN1C(OCC#C)=O)=O