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Product Overview

Product Code

TRC-F595532

CAS Number

1346599-32-3

Product Format

Neat

Molecular Formula

C17H7D4FN2O7

Molecular Weight

378.3

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

524714-04-3

Product Information

Chemical Data

Analyte Name

1-(4-Fluorophenoxy-d4)-2-(3,5-dinitrobenzoate)3-butyn-2-ol

CAS Number

1346599-32-3

Molecular Formula

C17H7D4FN2O7

Molecular Weight

378.3

Accurate Mass

378.0801

SMILES

[2H]c1c([2H])c(OCC(OC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])C#C)c([2H])c([2H])c1F

InChI

InChI=1S/C17H11FN2O7/c1-2-15(10-26-16-5-3-12(18)4-6-16)27-17(21)11-7-13(19(22)23)9-14(8-11)20(24)25/h1,3-9,15H,10H2/i3D,4D,5D,6D

IUPAC

1-(2,3,5,6-tetradeuterio-4-fluorophenoxy)but-3-yn-2-yl 3,5-dinitrobenzoate

Unlabelled CAS Number

524714-04-3

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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