Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of |
Bis(2-butoxyethyl)phthalate; beta-Butoxyethyl phthalate; Bis(2-butoxyethyl) phthalate; 1,2-Benzenedicarboxylic acid, bis(2-butoxyethyl) ester
Molecular Formula: C20H30O6
Natural Isotopic Abundance Mass: 366.4486
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
PubChem Compound (CID): 8345Reference 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)