skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > 3-phenylpropyl isovalerate
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > 3-phenylpropyl isovalerate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 3-phenylpropyl isovalerate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 3-phenylpropyl isovalerate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > 3-phenylpropyl isovalerate

Preferred term

3-phenylpropyl isovalerate  

Type

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

Broader concept

charge

  • 0

formula

  • C14H20O2

inchi

  • InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3

inchikey

  • LBNFCOMOXOWXCD-UHFFFAOYSA-N

mass

  • 220.312

monoisotopicmass

  • 220.14633

smiles

  • O(CCCC1=CC=CC=C1)C(=O)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • 3-phenylpropyl 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191497

Download this concept:

RDF/XML TURTLE JSON-LD