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Hexatriacantanoic acid,methyl ester

View entire compound with spectra: 1 NMR

Hexatriacantanoic acid,methyl ester
SpectraBase Compound ID AzxIvRVIY5Z
InChI InChI=1S/C37H74O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(38)39-2/h3-36H2,1-2H3
InChIKey MUQQCYSVPQQKQN-UHFFFAOYSA-N
Mol Weight 551.0 g/mol
Molecular Formula C37H74O2
Exact Mass 550.568882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63uz0uzo7gR
Name Hexatriacantanoic acid,methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.568881621 u
Formula C37H74O2
InChI InChI=1S/C37H74O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(38)39-2/h3-36H2,1-2H3
InChIKey MUQQCYSVPQQKQN-UHFFFAOYSA-N
Molecular Weight 550.997 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(OC)=O