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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO
Molecular Weight 205.2961
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLPENTEDRONE

SMILES

CCCC(NC)C(=O)C1=CC=C(C)C=C1

InChI

InChIKey=AKVKBEDACKJNPO-UHFFFAOYSA-N
InChI=1S/C13H19NO/c1-4-5-12(14-3)13(15)11-8-6-10(2)7-9-11/h6-9,12,14H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H19NO
Molecular Weight 205.2961
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
G83HJ935NV
Record Status Validated (UNII)
Record Version