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Isonipecotic acid, N-allyloxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isonipecotic acid, N-allyloxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 3Bn7MmC6WhZ
InChI InChI=1S/C25H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-29-24(27)23-17-19-26(20-18-23)25(28)30-21-4-2/h4,23H,2-3,5-22H2,1H3
InChIKey MUUHOEMAJQVJTJ-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C25H45NO4
Exact Mass 423.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qvkKb6peGO
Name Isonipecotic acid, N-allyloxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.334858929 u
Formula C25H45NO4
InChI InChI=1S/C25H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-29-24(27)23-17-19-26(20-18-23)25(28)30-21-4-2/h4,23H,2-3,5-22H2,1H3
InChIKey MUUHOEMAJQVJTJ-UHFFFAOYSA-N
Molecular Weight 423.638 g/mol
SMILES C=CCOC(N1CCC(C(OCCCCCCCCCCCCCCC)=O)CC1)=O