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(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID BshpJmNEmUB
InChI InChI=1S/C25H33ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey YNCPTBSBAATVIL-SSHIOZSPSA-N
Mol Weight 429.0 g/mol
Molecular Formula C25H33ClN2O2
Exact Mass 428.223056 g/mol
Enantiomer InChIKey YNCPTBSBAATVIL-OJWLLUHUSA-N
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