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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO3
Molecular Weight 237.2949
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Jimscaline

SMILES

COC1=C(OC)C(OC)=C2CC[C@@H](CN)C2=C1

InChI

InChIKey=AFTIZGHFDCOQFS-QMMMGPOBSA-N
InChI=1S/C13H19NO3/c1-15-11-6-10-8(7-14)4-5-9(10)12(16-2)13(11)17-3/h6,8H,4-5,7,14H2,1-3H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19NO3
Molecular Weight 237.2949
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
EN7Y5Y6S8F
Record Status Validated (UNII)
Record Version