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rac Mono(2-ethyl-5-oxohexyl) Phthalate

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For Research Use Only | Not For Clinical Use
CATAPS40321980
CAS40321-98-0
Structure
Synonymsrac Mono(2-ethyl-5-oxohexyl) Phthalate, Phthalic acid mono-2-ethyl-5-oxohexyl ester
IUPAC Name2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid
Molecular Weight292.33
Molecular FormulaC16H20O5
Canonical SMILESCCC(CCC(=O)C)COC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)
Accurate Mass292.1311
FormatNeat
SubcategoryAdditional pesticides and metabolites, Phthalates, Insecticides and metabolites
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