Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Alpha-naphthoic Acid

Graphical representations:


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Molecular Formula: C11H8O2

Natural Isotopic Abundance Mass: 172.1800200000

Mono-Isotopic Molecular Masses:

  • C12N14: 172.052429501
  • C13N14: 183.089332717
  • C12N15: 172.052429501
  • C13N15: 183.089332717

InChI string: InChI=1/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)/f/h12H

IUPAC: naphthalene-1-carboxylic acid

PubChem Compound (CID): 6847
KEGG Compound ID: C14091
CAS Registry number: 86-55-5
NSC: 37569
EINECS: 201-681-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,