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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21NO
Molecular Weight 219.3226
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ETHYLHEXEDRONE, (R)-

SMILES

CCCC[C@@H](NCC)C(=O)C1=CC=CC=C1

InChI

InChIKey=CWNKMHIETKEBCA-CYBMUJFWSA-N
InChI=1S/C14H21NO/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H21NO
Molecular Weight 219.3226
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RO98R3Y3UL
Record Status Validated (UNII)
Record Version