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Pipecolylpipecolic acid, N-butoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-butoxycarbonyl-, heptyl ester
SpectraBase Compound ID Jgsif7gq5f4
InChI InChI=1S/C24H42N2O5/c1-3-5-7-8-13-19-30-23(28)21-15-10-11-16-25(21)22(27)20-14-9-12-17-26(20)24(29)31-18-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey KRNYWKJIDFJROH-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 ESeNqHFzvFl
Name Pipecolylpipecolic acid, N-butoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.309372455 u
Formula C24H42N2O5
InChI InChI=1S/C24H42N2O5/c1-3-5-7-8-13-19-30-23(28)21-15-10-11-16-25(21)22(27)20-14-9-12-17-26(20)24(29)31-18-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey KRNYWKJIDFJROH-UHFFFAOYSA-N
Molecular Weight 438.609 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCC)=O)C(C1CCCCN1C(OCCCC)=O)=O