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Details

Stereochemistry RACEMIC
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHYL-.ALPHA.-IONONE

SMILES

CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C

InChI

InChIKey=JRJBVWJSTHECJK-PKNBQFBNSA-N
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+

HIDE SMILES / InChI

Molecular Formula C14H22O
Molecular Weight 206.3239
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
9XP4LC555B
Record Status Validated (UNII)
Record Version