5_O_4_diacetovanillone

5_O_4_diacetovanillone bmse010455 - Data

5_O_4_diacetovanillone synonyms

5-O-4 diacetovanillone

Wikipedia:

Graphical representations:

5_O_4_diacetovanillone

View large 3D structure

Molecular Formula: C18H18O6

Natural Isotopic Abundance Mass: 330.33192

Mono-Isotopic Molecular Masses:

  • C12N14: 330.1103383104
  • C13N14: 348.1707253908
  • C12N15: 330.1103383104
  • C13N15: 348.1707253908

InChI string: InChI=1S/C18H18O6/c1-10(19)12-5-6-14(15(7-12)22-3)24-17-9-13(11(2)20)8-16(23-4)18(17)21/h5-9,21H,1-4H3

USDA_NMR_database: 300

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)