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4-(Diethylphosphono)-3-Methyl-2-butenenitrile-[13C2] (E/Z Mixture)

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General Information
Catalog: BLP-006255
CAS: 1331637-92-3
Molecular Formula: C7[13C]2H16NO3P
Molecular Weight: 219.19

Chemical Structure

Synonyms	4-(Diethylphosphono)-3-Methyl-2-butenenitrile-13C2, E/Z Mixture; P-(3-Cyano-2-Methyl-2-propen-1-yl)phosphonic Acid-13C2 Diethyl Ester; Diethyl (3-cyano-2-methylallyl)phosphonate-13C2; 3-Methyl-4-(diethoxyphosphinyl)-2-butenenitrile-13C2
IUPAC Name	4-diethoxyphosphoryl-3-methyl(1,2-13C2)but-2-enenitrile
Related CAS	87549-50-6 (unlabelled)
Canonical SMILES	CCOP(=O)(CC(=CC#N)C)OCC
InChI	InChI=1S/C9H16NO3P/c1-4-12-14(11,13-5-2)8-9(3)6-7-10/h6H,4-5,8H2,1-3H3/i6+1,7+1
InChI Key	OPUURRZDCJCVGT-AKZCFXPHSA-N
Purity	98%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Tetrahydrofuran
Appearance	Pale-orange Oily Matter
Storage	Store at -20°C under inert atmosphere