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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO2
Molecular Weight 221.2955
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL-J

SMILES

CCNC(CC)CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=IYZPKSQJPVUWRO-UHFFFAOYSA-N
InChI=1S/C13H19NO2/c1-3-11(14-4-2)7-10-5-6-12-13(8-10)16-9-15-12/h5-6,8,11,14H,3-4,7,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H19NO2
Molecular Weight 221.2955
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
5Y22MYG54G
Record Status Validated (UNII)
Record Version