BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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P-Methoxy Cinnamaldehyde

P-Methoxy Cinnamaldehyde synonyms

p-Methoxy cinnamaldehyde

Wikipedia:

Graphical representations:

p-Methoxy cinnamaldehyde image

View large 3D structure

Molecular Formula: C10 H10 O2

Natural Isotopic Abundance Mass: 162.1852

Mono-Isotopic Molecular Masses:

  • C12N14: 162.0680795652
  • C13N14: 172.1016279432
  • C12N15: 162.0680795652
  • C13N15: 172.1016279432

InChI String: InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+

Canonical and Isomeric SMILES: COC1=CC=C(C=CC=O)C=C1

Beilstein
p-Methoxy cinnamaldehyde

PubChem Substance (SID):   111678012
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 215
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