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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMYL BENZOATE

SMILES

CC(C)CCOC(=O)C1=CC=CC=C1

InChI

InChIKey=MLLAPOCBLWUFAP-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
0AY72CK43K
Record Status Validated (UNII)
Record Version