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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO2
Molecular Weight 223.3113
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEATRICE

SMILES

CNC(C)CC1=C(OC)C=C(C)C(OC)=C1

InChI

InChIKey=IWYGVDBZCSCJGT-UHFFFAOYSA-N
InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3

HIDE SMILES / InChI
Molecular Formula C13H21NO2
Molecular Weight 223.3113
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

Unknown
149,124
Substance Class Chemical
Record UNII
4TM7A9W7KW
Record Status Validated (UNII)
Record Version
NIH
NCATS
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