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Isonipecotic acid, N-allyloxycarbonyl-, hexadecyl ester

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

Isonipecotic acid, N-allyloxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 18pKF0AqXGj
InChI InChI=1S/C26H47NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-25(28)24-18-20-27(21-19-24)26(29)31-22-4-2/h4,24H,2-3,5-23H2,1H3
InChIKey FFYIQEUJCJNDDL-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C26H47NO4
Exact Mass 437.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZZ1qOTL7zs
Name Isonipecotic acid, N-allyloxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.350508993 u
Formula C26H47NO4
InChI InChI=1S/C26H47NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-25(28)24-18-20-27(21-19-24)26(29)31-22-4-2/h4,24H,2-3,5-23H2,1H3
InChIKey FFYIQEUJCJNDDL-UHFFFAOYSA-N
Molecular Weight 437.665 g/mol
SMILES C=CCOC(N1CCC(C(OCCCCCCCCCCCCCCCC)=O)CC1)=O