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Product Overview

Product Code

TRC-M324440

CAS Number

128013-65-0

Product Format

Neat

Molecular Formula

C10H19NO4

Molecular Weight

217.26

Product Categories

TRC

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

5-Methyl-3-(nitromethyl)hexanoic Acid Ethyl Ester

CAS Number

128013-65-0

Molecular Formula

C10H19NO4

Molecular Weight

217.26

Accurate Mass

217.1314

SMILES

CCOC(=O)CC(CC(C)C)C[N+](=O)[O-]

InChI

InChI=1S/C10H19NO4/c1-4-15-10(12)6-9(5-8(2)3)7-11(13)14/h8-9H,4-7H2,1-3H3

IUPAC

ethyl 5-methyl-3-(nitromethyl)hexanoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Pregabalin intermediate.

References: Decicco, C., et al.: Bioorg. Med. Chem. Lett., 7, 2331

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