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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N2O2
Molecular Weight 268.3104
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PASPALIC ACID

SMILES

CN1CC(=C[C@H]2[C@H]1CC3=CNC4=C3C2=CC=C4)C(O)=O

InChI

InChIKey=RJNCJTROKRDRBW-TZMCWYRMSA-N
InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N2O2
Molecular Weight 268.3104
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P81DUK4Q2L
Record Status Validated (UNII)
Record Version