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Pipecolylpipecolic acid, N-butoxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolic acid, N-butoxycarbonyl-, octyl ester
SpectraBase Compound ID C79ElVMY8vR
InChI InChI=1S/C25H44N2O5/c1-3-5-7-8-9-14-20-31-24(29)22-16-11-12-17-26(22)23(28)21-15-10-13-18-27(21)25(30)32-19-6-4-2/h21-22H,3-20H2,1-2H3
InChIKey GKYGEGYTYPFXIU-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C25H44N2O5
Exact Mass 452.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dBo0CtR26i
Name Pipecolylpipecolic acid, N-butoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.325022520 u
Formula C25H44N2O5
InChI InChI=1S/C25H44N2O5/c1-3-5-7-8-9-14-20-31-24(29)22-16-11-12-17-26(22)23(28)21-15-10-13-18-27(21)25(30)32-19-6-4-2/h21-22H,3-20H2,1-2H3
InChIKey GKYGEGYTYPFXIU-UHFFFAOYSA-N
Molecular Weight 452.636 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCC)=O)C(C1CCCCN1C(OCCCC)=O)=O