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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Cachalot C-52; Crodacol-CAT; n-hexadecyl alcohol; Hexadecan-1-ol; Lanol C; hexadecan-1-ol; Cyclal cetyl alcohol; Product 308; Cetyl alcohol (NF); CETYL ALCOHOL; Cetanol
Molecular Formula: C16 H34 O
Natural Isotopic Abundance Mass: 242.44056
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
canonical and isomeric SMILES: CCCCCCCCCCCCCCCCO
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
hexadecan-1-ol
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773