Butyraldehyde
Butyraldehyde synonyms
n-Butanal; Butyl aldehyde; Aldehyde butyrique; Butal; Butyraldehyd; Butanaldehyde; butyraldehyde; Aldeide butirrica; Butyric aldehyde; BUTANAL N-BUTYRALDEHYDE; Butyral
Graphical representations:
View large 3D structure
Molecular Formula: C4H8O
Natural Isotopic Abundance Mass: 72.10572
Mono-Isotopic Molecular Masses:
- C12N14: 72.0575148789
- C13N14: 76.0709342301
- C12N15: 72.0575148789
- C13N15: 76.0709342301
InChI string: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
PubChem Compound (CID): 261CAS Registry number: 123-72-8
MMCD: cq_00935
CAS Registry number: 123-72-8
Sigma-Aldrich: 20710_FLUKA
ChEBI: CHEBI:15743
BioCyc: BUTANAL
ZINC: ZINC01529195
ChemSpider: 256
BIND: 525
NMRShiftDB: 10008865
KEGG Compound ID: C01412
NIST: 3413005147
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, https://www.nature.com/articles/sdata201773)