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Isonipecotic acid, N-butoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-butoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID BFZcmcVBufB
InChI InChI=1S/C26H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-30-25(28)24-18-20-27(21-19-24)26(29)31-22-6-4-2/h24H,3-23H2,1-2H3
InChIKey OJWSGJXQJWWKAL-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LL8pVVG39Hj
Name Isonipecotic acid, N-butoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-30-25(28)24-18-20-27(21-19-24)26(29)31-22-6-4-2/h24H,3-23H2,1-2H3
InChIKey OJWSGJXQJWWKAL-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1N(CCC(C1)C(OCCCCCCCCCCCCCCC)=O)C(OCCCC)=O