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Mono[2-(carboxymethyl)hexyl] phthalate-[ring-1,2-13C2,dicarboxyl-13C2]

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General Information
Catalog: BLP-009475
Molecular Formula: C12[13C]4H20O6
Molecular Weight: 312.30

Chemical Structure

Description	Mono[2-(carboxymethyl)hexyl] phthalate-[ring-1,2-13C2,dicarboxyl-13C2] is a 13C labelled analogue of Mono[2-(carboxymethyl)hexyl] phthalate, which is an oxidative metabolite of Bis(2-ethylhexyl)phthalate (DEHP).
Synonyms	1,2-Benzenedicarboxylic acid, 1-(2-(carboxymethyl)hexyl) ester-ring-1,2-13C2-dicarboxyl-13C2; 2-[2-(carboxymethyl)hexoxycarbonyl]benzoic acid-ring-1,2-13C2-dicarboxyl-13C2
Related CAS	82975-93-7 (unlabelled)
InChI	InChI=1S/C16H20O6/c1-2-3-6-11(9-14(17)18)10-22-16(21)13-8-5-4-7-12(13)15(19)20/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20)/i12+1,13+1,15+1,16+1
InChI Key	CCNOZWPVQWCJFK-DYAJBETCSA-N
Purity	98% by CP; 99% atom 13C