BMRB

Biological Magnetic Resonance Data Bank


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

Cinnamyl Alcohol

Graphical representations:

Cinnamyl alcohol image

View large 3D structure

Molecular Formula: C9 H10 O

Natural Isotopic Abundance Mass: 134.1751

Mono-Isotopic Molecular Masses:

  • C12N14: 134.0731649431
  • C13N14: 143.1033584833
  • C12N15: 134.0731649431
  • C13N15: 143.1033584833

InChI String: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

Canonical and Isomeric SMILES: C1=CC=C(C=C1)C=CCO

Beilstein
Cinnamyl alcohol

PubChem Substance (SID):   111678074
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 95
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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