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CHEBI:227993 - 2-methyl butyl propyl phthalate

ChEBI IDCHEBI:227993
ChEBI Name2-methyl butyl propyl phthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCCCOC(=O)c1ccccc1C(=O)OC[C@@H](C)CC
InChIInChI=1S/C16H22O4/c1-4-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyJAVHHOWZJLFVFA-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cheonanensis (ncbitaxon:312720) - PubMed (28330133)
ChEBI Ontology
Outgoing Relation(s)
2-methyl butyl propyl phthalate (CHEBI:227993) is a benzoate ester (CHEBI:36054)
IUPAC Name 
2-O-(2-methylbutyl) 1-O-propyl benzene-1,2-dicarboxylate
Manual XrefsDatabases
58196738ChemSpider