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Isonipecotic acid, N-benzyloxycarbonyl-, undecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzyloxycarbonyl-, undecyl ester
SpectraBase Compound ID 1xXmyU5epxv
InChI InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-13-20-29-24(27)23-16-18-26(19-17-23)25(28)30-21-22-14-11-10-12-15-22/h10-12,14-15,23H,2-9,13,16-21H2,1H3
InChIKey AZXGUFLMHONPGV-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C25H39NO4
Exact Mass 417.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIO1UiwGB26
Name Isonipecotic acid, N-benzyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.287908736 u
Formula C25H39NO4
InChI InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-13-20-29-24(27)23-16-18-26(19-17-23)25(28)30-21-22-14-11-10-12-15-22/h10-12,14-15,23H,2-9,13,16-21H2,1H3
InChIKey AZXGUFLMHONPGV-UHFFFAOYSA-N
Molecular Weight 417.590 g/mol
SMILES C1N(CCC(C1)C(=O)OCCCCCCCCCCC)C(OCC1=CC=CC=C1)=O