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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO2
Molecular Weight 217.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRACARBOLID

SMILES

CC1=C(CCCO1)C(=O)NC2=CC=CC=C2

InChI

InChIKey=YPCALTGLHFLNGA-UHFFFAOYSA-N
InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H15NO2
Molecular Weight 217.2637
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
H294Q38GAN
Record Status Validated (UNII)
Record Version