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Mono(4-hydroxybutyl) phthalate-[d4]

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General Information
Catalog: BLP-013541
CAS: 1346600-32-5
Molecular Formula: C12H10D4O5
Molecular Weight: 242.26

Chemical Structure

Description	Mono(4-hydroxybutyl) phthalate-[d4] is a labelled derivative of 1,2-Benzenedicarboxylic Acid 1-(4-Hydroxybutyl) Ester.
Synonyms	1,2-Benzenedicarboxylic Acid-d4 1-(4-Hydroxybutyl) Ester
IUPAC Name	2,3,4,5-tetradeuterio-6-(4-hydroxybutoxycarbonyl)benzoic acid
Related CAS	17498-34-9 (unlabelled)
Canonical SMILES	C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCCO
InChI	InChI=1S/C12H14O5/c13-7-3-4-8-17-12(16)10-6-2-1-5-9(10)11(14)15/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)/i1D,2D,5D,6D
InChI Key	FRGVYBUJIQMSOZ-NMRLXUNGSA-N