Products 2727061-41-6

CAS 2727061-41-6 is the registry number for rac Mono(2-ethyl-5-oxohexyl) Phthalate-13C6. Offered by: TRC. Available pack sizes: 25mg.

rac Mono(2-ethyl-5-oxohexyl) Phthalate-13C6
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

6-(2-ethyl-5-oxohexoxy)carbonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid (CAS 2727061-41-6) is a chemical compound with the molecular formula C16H20O5 and a molecular weight of 298.28 g/mol. IUPAC name: 6-(2-ethyl-5-oxohexoxy)carbonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid. InChIKey: HCWNFKHKKHNSSL-ANBMRESWSA-N.

Identity
Molecular formulaC16H20O5
Molecular weight298.28 g/mol
IUPAC name6-(2-ethyl-5-oxohexoxy)carbonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
InChIKeyHCWNFKHKKHNSSL-ANBMRESWSA-N
SMILESCCC(CCC(=O)C)COC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13C]1C(=O)O

Computed by PubChem (NCBI)

Synonyms: rac Mono(2-ethyl-5-oxohexyl) Phthalate-13C6
Related forms of this compound
2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid C16H20O5
2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid C16H20O5
Isomers (same molecular formula)
ethyl 7-(4-methoxyphenyl)-4,7-dioxoheptanoate C16H20O5
diethyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1,3-dicarboxylate C16H20O5
ethyl 4-(4-methoxy-3-propan-2-ylphenyl)-2,4-dioxobutanoate C16H20O5
2-(6-acetyl-1,3-benzodioxol-5-yl)ethyl 2,2-dimethylpropanoate C16H20O5
(2S)-2-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid C16H20O5
2-(2-acetylhexoxycarbonyl)benzoic acid C16H20O5
4-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid C16H20O5
6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid C16H20O5
(3R)-6,8-dihydroxy-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-3,4-dihydroisochromen-1-one C16H20O5
2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyacetic acid C16H20O5