BMRB

Biological Magnetic Resonance Data Bank


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

Butyraldehyde

Graphical representations:

Butyraldehyde image

Molecular Formula: C4 H8 O

Natural Isotopic Abundance Mass: 72.10572

Mono-Isotopic Molecular Masses:

  • C12N14: 72.0575148789
  • C13N14: 76.0709342301
  • C12N15: 72.0575148789
  • C13N15: 76.0709342301

InCHi String:

canonical and isomeric SMILES: CCCC=O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
butanal

PUBCHEM iupac TRADITIONAL NAME
butyraldehyde

PubChem Substance (SID):   144080973   3288060   588068
PubChem Compound (CID):   261
KEGG: Compound ID   C01412
CAS Registry IDs:   123-72-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 123-72-8   MMCD cq_00935   Sigma-Aldrich 20710_FLUKA   ChEBI CHEBI:15743   BioCyc BUTANAL   ZINC ZINC01529195   ChemSpider 256   BIND 525   NMRShiftDB 10008865   NIST 3413005147

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.