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

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

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General Information
Catalog: BLP-009466
CAS: 2482466-99-7
Molecular Formula: C13[13C]4H22O6
Molecular Weight: 326.32

Chemical Structure

Description	Mono-(4-methyl-7-carboxyheptyl) phthalate-[ring-1,2-13C2,dicarboxyl-13C2] is a 13C labelled analogue of Mono-(7-carboxy-4-methyhepty)-phthalate. Mono-(7-carboxy-4-methyhepty)-phthalate is a metabolite of Dibutyl phthalate, which is widely used in consumer products.
Synonyms	2-{[(7-carboxy-4-methylheptyl)oxy]carbonyl}benzoic acid-ring-1,2-13C2-dicarboxyl-13C2; Phthalic acid 1-(7-carboxy-4-methylheptyl) ester-ring-1,2-13C2-dicarboxyl-13C2
Related CAS	936022-02-5 (unlabelled)
InChI	InChI=1S/C17H22O6/c1-12(6-4-10-15(18)19)7-5-11-23-17(22)14-9-3-2-8-13(14)16(20)21/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,18,19)(H,20,21)/i13+1,14+1,16+1,17+1
InChI Key	IGGGGTKTEAEHSG-MJZQYHGBSA-N
Purity	98% by CP; 99% atom 13C