PENTYL BENZOATE

PENTYL BENZOATE bmse001104 - Data

PENTYL BENZOATE synonyms

Pentyl benzoate

Wikipedia:

Graphical representations:

PENTYL

View large 3D structure

Molecular Formula: C12H16O2

Natural Isotopic Abundance Mass: 192.25424

Mono-Isotopic Molecular Masses:

  • C12N14: 192.115029752
  • C13N14: 204.155287808
  • C12N15: 192.115029752
  • C13N15: 204.155287808

InChI string: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3

PubChem Compound (CID): 16296

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)