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rac Mono(5-carboxy-2-ethylpentyl) Phthalate-[d4]

General Information
Catalog: BLP-004023
CAS: 866864-06-4
Molecular Formula: C16H16D4O6
Molecular Weight: 312.35
Chemical Structure
rac Mono(5-carboxy-2-ethylpentyl) Phthalate-[d4]
Description Rac Mono(5-carboxy-2-ethylpentyl) Phthalate-[d4] is a labelled analogue of Mono(5-carboxy-2-ethylpentyl) Phthalate, a metabolite of Bis(2-ethylhexyl) Phthalate (DEHP).
Synonyms 1,2-Benzenedicarboxylic Acid-d4 Mono(5-carboxy-2-ethylpentyl) Ester; MECPP-d4
IUPAC Name 2-(5-carboxy-2-ethylpentoxy)carbonyl-3,4,5,6-tetradeuteriobenzoic acid
Canonical SMILES CCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O
InChI InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/i3D,4D,7D,8D
InChI Key XFGRNAPKLGXDGF-KNIGXJNHSA-N
Purity 97%
Appearance Clear Colorless Oil

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