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3-Methyl-5-[2,6,6-trimethyl-1-(cyclohexen-[d5])-1-yl]-penta-2,4-dienenitrile

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General Information
Catalog: BLP-007724
CAS: 1185235-72-6
Molecular Formula: C15H16D5N
Molecular Weight: 220.36

Chemical Structure

Description	A labelled analogue of 2,4-Pentadienenitrile, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl).
Synonyms	3-Methyl-5-[(2,6,6-trimethyl,7-d5)-1-enyl]penta-2,4-dienenitrile; (2E,4E)-3-methyl-5-[2-(D3)methyl-6,6-dimethyl(3,3-D2)cyclohex-1-en-1-yl]penta-2,4-dienenitrile
IUPAC Name	(2E,4E)-5-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3-methylpenta-2,4-dienenitrile
Related CAS	19834-52-7 (unlabelled)
Isomeric SMILES	[2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C#N)/C)(C)C)[2H]
Canonical SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC#N)C
InChI	InChI=1S/C15H21N/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9H,5-6,10H2,1-4H3/b8-7+,12-9+/i2D3,6D2
InChI Key	YOYODHNOTKUUDY-HIHBUKCVSA-N
Purity	>98%
Solubility	Soluble in Dichloromethane, Ether, Ethyl Acetate, Hexane
Appearance	Pale Yellow Oil