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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > (+-)-2-(4'-isobutylphenyl)propionitrile

Preferred term

(+-)-2-(4'-isobutylphenyl)propionitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:18461
  • CHEBI:66

charge

  • 0

formula

  • C13H17N

inchi

  • InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3

inchikey

  • PKQKHWNHCKNYSW-UHFFFAOYSA-N

mass

  • 187.28080

monoisotopicmass

  • 187.13610

smiles

  • CC(C)Cc1ccc(cc1)C(C)C#N

subset

  • 3_STAR

synonym EXACT

  • 2-(4-isobutylphenyl)propanenitrile

synonym RELATED

  • (+/-)-2-(4'-Isobutylphenyl)propionitrile
  • 2-(4-Isobutylphenyl)propiononitrile
  • 2-(p-isobutylphenyl)propiononitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:27415

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