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Home >> Chemical Listing >> Page 2930 >> 3-(2,2-Dimethylbutanoyl)benzonitrile

3-(2,2-Dimethylbutanoyl)benzonitrile
[CAS# 898765-13-4]

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Identification
Name 3-(2,2-Dimethylbutanoyl)benzonitrile
Synonyms 3'-cyano-2,2-dimethylbutyrophenone
Molecular Structure CAS#: 898765-13-4, 3-(2,2-Dimethylbutanoyl)benzonitrile
Molecular Formula C13H15NO
Molecular Weight 201.26
CAS Registry Number 898765-13-4
SMILES N#Cc1cc(ccc1)C(=O)C(C)(C)CC
InChI 1S/C13H15NO/c1-4-13(2,3)12(15)11-7-5-6-10(8-11)9-14/h5-8H,4H2,1-3H3
InChIKey HYFXXDVUMWFGPE-UHFFFAOYSA-N
Properties
Density 1.027g/cm3 (Cal.)
Boiling point 314.14°C at 760 mmHg (Cal.)
Flash point 143.787°C (Cal.)
Refractive index 1.516 (Cal.)
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