rac-Mono-(4-methyloctanyl)-phthalate-[d4]

General Information
Catalog: BLP-004078
CAS: 1346154-86-6
Molecular Formula: C17H20D4O4
Molecular Weight: 296.39
Related CAS: 1346154-85-5 (unlabelled)
Description Rac-Mono-(4-methyloctanyl)-phthalate-[d4] is an isotopically labelled analogue of rac-Mono-(4-methyloctanyl)-phthalate.
Synonyms 1-(4-Methyloctyl) Ester 1,2-Benzenedicarboxylic Acid-D4; 2-(((4-Methyloctyl)oxy)carbonyl)benzoic-D4
IUPAC Name 2,3,4,5-tetradeuterio-6-(4-methyloctoxycarbonyl)benzoic acid
Canonical SMILES CCCCC(C)CCCOC(=O)C1=CC=CC=C1C(=O)O
InChI InChI=1S/C17H24O4/c1-3-4-8-13(2)9-7-12-21-17(20)15-11-6-5-10-14(15)16(18)19/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,18,19)/i5D,6D,10D,11D
InChI Key XEYQNGJVRAQJAW-SOBLDAANSA-N

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