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Mono-(4-methyl-7-oxooctyl)phthalate-[ring-1,2-13C2,dicarboxyl-13C2]

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General Information
Catalog: BLP-009469
Molecular Formula: C13[13C]4H22O5
Molecular Weight: 310.32

Chemical Structure

Description	Mono-(4-methyl-7-oxooctyl)phthalate-[ring-1,2-13C2,dicarboxyl-13C2] is a 13C labelled analogue of Mono-(4-methyl-7-oxooctyl)phthalate. Mono-(4-methyl-7-oxooctyl)pththalate is a metabolite of oxidized di-iso-nonylphthalates (DINP) molecules that are plasticizers used to improve the various physical characteristics.
Synonyms	3-(4-methyl-7-oxooctyl)phthalic acid-ring-1,2-13C2-dicarboxyl-13C2
Related CAS	936022-00-3 (unlabelled)
InChI	InChI=1S/C17H22O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,20)/i14+1,15+1,16+1,17+1
InChI Key	UFUNVAIKYOYYBB-QDLQIWBWSA-N
Purity	98% by CP; 99% atom 13C