[(3S)-3-(Cyanomethyl)-2-Methyl-6-Oxoheptan-2-Yl] Acetate
[CAS# 131447-89-7]

Identification

• Name: [(3S)-3-(Cyanomethyl)-2-Methyl-6-Oxoheptan-2-Yl] Acetate
• Synonyms: [(2S)-2-(Cyanomethyl)-1,1-Dimethyl-5-Oxo-Hexyl] Acetate; Acetic Acid [(2S)-2-(Cyanomethyl)-1,1-Dimethyl-5-Oxohexyl] Ester; Acetic Acid [(2S)-2-(Cyanomethyl)-5-Keto-1,1-Dimethyl-Hexyl] Ester
• Molecular Formula: C₁₂H₁₉NO₃
• Molecular Weight: 225.29
• CAS Registry Number: 131447-89-7
• SMILES: [C@H](C(OC(=O)C)(C)C)(CCC(=O)C)CC#N
• InChI: 1S/C12H19NO3/c1-9(14)5-6-11(7-8-13)12(3,4)16-10(2)15/h11H,5-7H2,1-4H3/t11-/m0/s1
• InChIKey: GYMQJDBBAFVHRZ-NSHDSACASA-N