BMRB

Biological Magnetic Resonance Data Bank


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

4-ethylphenol

Graphical representations:

4-ethylphenol image

Molecular Formula: C8 H10 O

Natural Isotopic Abundance Mass: 122.1644

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0731649431
  • C13N14: 130.1000036455
  • C12N15: 122.0731649431
  • C13N15: 130.1000036455

InCHi String:

canonical and isomeric SMILES: CCC1=CC=C(C=C1)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-ethylphenol

PubChem Substance (SID):   111677819   588097   48421953
PubChem Compound (CID):   31242
KEGG: Compound ID   C13637
CAS Registry IDs:   123-07-9
PDB Chemical Component   ETY
Miscellaneous Databases and IDs:   Sigma-Aldrich E44205_ALDRICH   EPA DSSTox 22447   BioCyc CPD-10596   ZINC ZINC01690956   NMRShiftDB 10008890   ChemDB 3969620   NIST Chemistry WebBook 3232221708   MMCD cq_09630   MDL MFCD00002393

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.