Name: Deuterated Phthalates Mixture 634 1000 µg/mL in Ethyl acetate
Brand: Dr. Ehrenstorfer
SKU: DRE-A50000634EA

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Product Overview

Product Code

DRE-A50000634EA

CAS Number

3 Analytes

Product Format

Mixture

Solvent

Ethyl acetate

Product Categories

Dr. Ehrenstorfer, Phthalates

Product Type

Stable Isotope Labelled

Alternate CAS Number

3 Analytes

Unlabelled CAS Number

3 Analytes

Documentation

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Product Information

Analyte Name

Measured Value

CAS Number

Molecular Structure

Phthalic acid, bis-2-ethylhexyl ester D4

CAS Number

93951-87-2

Alternate CAS Number

117-81-7

Unlabelled CAS Number

117-81-7

Molecular Formula

C24D4H34O4

Molecular Weight

394.58

Accurate Mass

394.3021

SMILES

[2H]c1c([2H])c([2H])c(C(=O)OCC(CC)CCCC)c(C(=O)OCC(CC)CCCC)c1[2H]

InChI

InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/i11D,12D,15D,16D

IUPAC

bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Phthalic acid, bis-butyl ester D4

CAS Number

93952-11-5

Alternate CAS Number

Unlabelled CAS Number

84-74-2

Molecular Formula

C16D4H18O4

Molecular Weight

282.37

Accurate Mass

282.1769

SMILES

[2H]c1c([2H])c([2H])c(C(=O)OCCCC)c(C(=O)OCCCC)c1[2H]

InChI

InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/i7D,8D,9D,10D

IUPAC

dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Phthalic acid, bis-ethyl ester D4

CAS Number

93952-12-6

Alternate CAS Number

Unlabelled CAS Number

84-66-2

Molecular Formula

C12D4H10O4

Molecular Weight

226.26

Accurate Mass

226.1143

SMILES

[2H]c1c([2H])c([2H])c(C(=O)OCC)c(C(=O)OCC)c1[2H]

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3/i5D,6D,7D,8D

IUPAC

diethyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Storage Temperature

-18°C

Shipping Temperature

+20°C

Country of Origin

UNITED STATES

Product Type

Stable Isotope Labelled

Product Format

Mixture

Solvent

Ethyl acetate

Product citations

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Deuterated Phthalates Mixture 634 1000 µg/mL in Ethyl acetate

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