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: C₁₃H₂₀O
• Molecular weight: 192.2973
• IUPAC Standard InChI:
  • InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
• IUPAC Standard InChIKey: PSQYTAPXSHCGMF-UHFFFAOYSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
• Stereoisomers:
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • trans-β-Ionone
  • β-Ionone isomer # 2

Contents of the identifier

Identifier version: 1S

Main section

• Formula: C13H20O
• Connectivity: 1-10-6-5-9-13(3,4)12(10)8-7-11(2)14
• Hydrogen: 7-8H,5-6,9H2,1-4H3