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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14O2
Molecular Weight 154.2063
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isophorone oxide, (+)-

SMILES

C[C@@]12CC(C)(C)CC(=O)[C@@H]1O2

InChI

InChIKey=ROTNQFPVXVZSRL-IONNQARKSA-N
InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3/t7-,9+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Isophorone oxide, (+)-
Common Name English
(1R,6R)-4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Preferred Name English
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-, (1R,6R)-
Systematic Name English
Code System Code Type Description
FDA UNII
KJ92LN9GAL
Created by admin on Wed Apr 02 11:21:39 GMT 2025 , Edited by admin on Wed Apr 02 11:21:39 GMT 2025
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PUBCHEM
642886
Created by admin on Wed Apr 02 11:21:39 GMT 2025 , Edited by admin on Wed Apr 02 11:21:39 GMT 2025
PRIMARY
CAS
1027239-71-9
Created by admin on Wed Apr 02 11:21:39 GMT 2025 , Edited by admin on Wed Apr 02 11:21:39 GMT 2025
PRIMARY