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Octadecanoic acid, 2-(hexadecyloxy)ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Octadecanoic acid, 2-(hexadecyloxy)ethyl ester
SpectraBase Compound ID 7YtdaswNjae
InChI InChI=1S/C36H72O3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36(37)39-35-34-38-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey KWRXMYLSDRSIEB-UHFFFAOYSA-N
Mol Weight 553.0 g/mol
Molecular Formula C36H72O3
Exact Mass 552.548146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7ofXVLKxMq
Name Octadecanoic acid, 2-(hexadecyloxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.548146175 u
Formula C36H72O3
InChI InChI=1S/C36H72O3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36(37)39-35-34-38-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey KWRXMYLSDRSIEB-UHFFFAOYSA-N
Molecular Weight 552.969 g/mol
SMILES C(OCCOCCCCCCCCCCCCCCCC)(=O)CCCCCCCCCCCCCCCCC