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Pipecolic acid, N-propoxycarbonyl-, octadecyl ester

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Pipecolic acid, N-propoxycarbonyl-, octadecyl ester
SpectraBase Compound ID iWtdTjmWdr
InChI InChI=1S/C28H53NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-27(30)26-22-19-20-23-29(26)28(31)33-24-4-2/h26H,3-25H2,1-2H3
InChIKey MHUPTNMQTNLVMK-UHFFFAOYSA-N
Mol Weight 467.7 g/mol
Molecular Formula C28H53NO4
Exact Mass 467.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVkR9BSc9Xh
Name Pipecolic acid, N-propoxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.397459187 u
Formula C28H53NO4
InChI InChI=1S/C28H53NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-27(30)26-22-19-20-23-29(26)28(31)33-24-4-2/h26H,3-25H2,1-2H3
InChIKey MHUPTNMQTNLVMK-UHFFFAOYSA-N
Molecular Weight 467.735 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCCCCCCC)=O)C(OCCC)=O