BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

1_naphthalenemethanol

Graphical representations:

1_naphthalenemethanol image

Molecular Formula: C11 H10 O

Natural Isotopic Abundance Mass: 158.1965

Mono-Isotopic Molecular Masses:

  • C12N14: 158.0731649431
  • C13N14: 169.1100681589
  • C12N15: 158.0731649431
  • C13N15: 169.1100681589

InCHi String:

canonical and isomeric SMILES: C1=CC=C2C(=C1)C=CC=C2CO

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
naphthalen-1-ylmethanol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
1-naphthylmethanol

PUBCHEM iupac CAS NAME
1-naphthalenylmethanol

PubChem Substance (SID):   111677828   53801136   10523732
PubChem Compound (CID):   20908
KEGG: Compound ID   C14089
CAS Registry IDs:   4780-79-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 184284_ALDRICH   ChEBI CHEBI:38137   ZINC ZINC01680841   UM-BBD c0720   NIST Chemistry WebBook 19109681   MMCD cq_09933   MDL MFCD00004044

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.