Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

• Formula: C₁₃H₁₆O
• Molecular weight: 188.2655
• IUPAC Standard InChI:
  • InChI=1S/C13H16O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14/h5-8H,1-4H3/b8-7
• IUPAC Standard InChIKey: AHHGVKNOSDJAQN-PXSSQYMJSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
• Permanent link for this search. Use this link for bookmarking this species for future reference.
• Stereoisomers:
  • (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one
  • 4-(2',3',6'-trimethylphenyl)but-3-en-2-one

Contents of the identifier

Identifier version: 1

Main section

• Formula: C13H16O
• Connectivity: 1-9-5-6-10(2)13(12(9)4)8-7-11(3)14
• Hydrogen: 5-8H,1-4H3
• Double bond stereo: 8-7