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-naphthaldehyde

Graphical representations:

1-naphthaldehyde image

Molecular Formula: C11 H8 O

Natural Isotopic Abundance Mass: 156.18062

Mono-Isotopic Molecular Masses:

  • C12N14: 156.0575148789
  • C13N14: 167.0944180947
  • C12N15: 156.0575148789
  • C13N15: 167.0944180947

InCHi String: InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
naphthalene-1-carbaldehyde

PUBCHEM iupac CAS NAME
1-naphthalenecarboxaldehyde

PubChem Substance (SID):   85165313   72101   37912913
PubChem Compound (CID):   6195
KEGG: Compound ID   C14090
CAS Registry IDs:   30678-61-6   66-77-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich N109_ALDRICH   ZINC ZINC01693280   ChemIDplus 030678616   UM-BBD c0721   ChemSpider 13884259   NMRShiftDB 10016013   NIAID 081351   ChemDB 6527932   DTP/NCI 6106   NIST Chemistry WebBook 1286386956   MMCD cq_09934   MDL MFCD00004003

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.