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Home >> Chemical Listing >> Page 2929 >> 3-(3,3-Dimethylbutanoyl)benzonitrile

3-(3,3-Dimethylbutanoyl)benzonitrile
[CAS# 898764-20-0]

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Identification
Name 3-(3,3-Dimethylbutanoyl)benzonitrile
Synonyms 3'-cyano-3,3-dimethylbutyrophenone
Molecular Structure CAS#: 898764-20-0, 3-(3,3-Dimethylbutanoyl)benzonitrile
Molecular Formula C13H15NO
Molecular Weight 201.26
CAS Registry Number 898764-20-0
SMILES N#Cc1cc(ccc1)C(=O)CC(C)(C)C
InChI 1S/C13H15NO/c1-13(2,3)8-12(15)11-6-4-5-10(7-11)9-14/h4-7H,8H2,1-3H3
InChIKey ITTQOQAHLXIANI-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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