Product Code

TRC-M525492

CAS Number

2714431-33-9

Product Format

Neat

Molecular Formula

C16H14D4O7

Molecular Weight

326.33

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

88144-75-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Mono(5-carboxy-2-ethyl-4-oxopentyl) Phthalate-d4

CAS Number

2714431-33-9

Molecular Formula

C16H14D4O7

Molecular Weight

326.33

Accurate Mass

326.13

SMILES

O=C(OCC(CC)CC(CC(O)=O)=O)C1=C([2H])C([2H])=C([2H])C([2H])=C1C(O)=O

InChI

InChI=1S/C16H18O7/c1-2-10(7-11(17)8-14(18)19)9-23-16(22)13-6-4-3-5-12(13)15(20)21/h3-6,10H,2,7-9H2,1H3,(H,18,19)(H,20,21)/i3D,4D,5D,6D

IUPAC

2-(((5-carboxy-2-ethyl-4-oxopentyl)oxy)carbonyl)benzoic-3,4,5,6-d4 acid

Unlabelled CAS Number

88144-75-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Mono(5-carboxy-2-ethyl-4-oxopentyl) Phthalate-d4

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