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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Coniferyl Benzoate
Coniferyl Benzoate synonyms
3-Phenyl-acrylic acid 3-(4-hydroxy-3-methoxyphenyl)allyl ester
Graphical representations:
View large 3D structure
Molecular Formula: C17H16O4
Natural Isotopic Abundance Mass: 284.30654
Mono-Isotopic Molecular Masses:
- C12N14: 284.104859002
- C13N14: 301.1618912446
- C12N15: 284.104859002
- C13N15: 301.1618912446
InChI string: InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+
USDA_NMR_database: 2010Reference 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)