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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Methyl p-Coumarate

Methyl p-Coumarate synonyms

Methyl p-Coumarate; methyl 4-hydroxycinnamate

Wikipedia:

Graphical representations:

Methyl p-Coumarate image

Molecular Formula: C10 H10 O3

Natural Isotopic Abundance Mass: 178.1846

Mono-Isotopic Molecular Masses:

  • C12N14: 178.0629941873
  • C13N14: 188.0965425653
  • C12N15: 178.0629941873
  • C13N15: 188.0965425653

InCHi String: InChI=1/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+

Canonical and Isomeric SMILES: COC(C=CC1=CC=C(C=C1)O)=O

Beilstein
Methyl p-Coumarate

PubChem Substance (SID):   111678058
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 61
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.