Isophorone (C9H14O)
Looking for routes to Isophorone?
Isophorone presents a C9 framework. Use the planner with prefilled SMILES, or copy
CC1=CC(=O)CC(C)(C)C1
(CAS 78-59-1).
Properties
Isophorone 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of Isophorone?
Isophorone has molecular formula C9H14O. Molecular weight about 138.21 g·mol⁻¹.
What is the CAS number of Isophorone?
The CAS Registry Number for Isophorone is 78-59-1.
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References & tools
- ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.