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Pipecolylpipecolic acid, N-propargyloxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-propargyloxycarbonyl-, heptyl ester
SpectraBase Compound ID 2j1UMMKtRRC
InChI InChI=1S/C23H36N2O5/c1-3-5-6-7-12-18-29-22(27)20-14-9-10-15-24(20)21(26)19-13-8-11-16-25(19)23(28)30-17-4-2/h2,19-20H,3,5-18H2,1H3
InChIKey XSCCQDBJNJVDNV-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C23H36N2O5
Exact Mass 420.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jy3zfJTDFCW
Name Pipecolylpipecolic acid, N-propargyloxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.262422262 u
Formula C23H36N2O5
InChI InChI=1S/C23H36N2O5/c1-3-5-6-7-12-18-29-22(27)20-14-9-10-15-24(20)21(26)19-13-8-11-16-25(19)23(28)30-17-4-2/h2,19-20H,3,5-18H2,1H3
InChIKey XSCCQDBJNJVDNV-UHFFFAOYSA-N
Molecular Weight 420.550 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCC)=O)C(C1CCCCN1C(OCC#C)=O)=O