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Pipecolylpipecolic acid, N-propoxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-propoxycarbonyl-, octyl ester
SpectraBase Compound ID 5bZbFllYMTR
InChI InChI=1S/C24H42N2O5/c1-3-5-6-7-8-13-19-30-23(28)21-15-10-11-16-25(21)22(27)20-14-9-12-17-26(20)24(29)31-18-4-2/h20-21H,3-19H2,1-2H3
InChIKey VMROSPDRWQNTIF-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C24H42N2O5
Exact Mass 438.309372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UMbXVOGMdQ
Name Pipecolylpipecolic acid, N-propoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.309372455 u
Formula C24H42N2O5
InChI InChI=1S/C24H42N2O5/c1-3-5-6-7-8-13-19-30-23(28)21-15-10-11-16-25(21)22(27)20-14-9-12-17-26(20)24(29)31-18-4-2/h20-21H,3-19H2,1-2H3
InChIKey VMROSPDRWQNTIF-UHFFFAOYSA-N
Molecular Weight 438.609 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCC)=O)C(=O)C1N(CCCC1)C(=O)OCCC