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Butyl 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oate

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Butyl 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oate
SpectraBase Compound ID 7ZY1oAVjiDN
InChI InChI=1S/C25H50O12/c1-3-4-5-37-25(26)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-2/h3-24H2,1-2H3
InChIKey FJMSVIAONDZNBT-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C25H50O12
Exact Mass 542.330227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SJUSstVnFR
Name Butyl 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.330227038 u
Formula C25H50O12
InChI InChI=1S/C25H50O12/c1-3-4-5-37-25(26)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-2/h3-24H2,1-2H3
InChIKey FJMSVIAONDZNBT-UHFFFAOYSA-N
Molecular Weight 542.663 g/mol
SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(OCCCC)=O