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Details

Stereochemistry RACEMIC
Molecular Formula C15H18FNO2
Molecular Weight 263.3073
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROPINE 4-FLUOROBENZOATE

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C3=CC=C(F)C=C3

InChI

InChIKey=YXDFSLSXLYAAPF-WDNDVIMCSA-N
InChI=1S/C15H18FNO2/c1-17-12-6-7-13(17)9-14(8-12)19-15(18)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3/t12-,13+,14+

HIDE SMILES / InChI

Molecular Formula C15H18FNO2
Molecular Weight 263.3073
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5S4MZZ9YA2
Record Status Validated (UNII)
Record Version