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(3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID K5zLTCSFJop
InChI InChI=1S/C26H33F3N2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(32)33-23)16-30-9-11-31(12-10-30)19-7-3-6-18(13-19)26(27,28)29/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey JPGONSRADJKPOD-SSHIOZSPSA-N
Mol Weight 462.6 g/mol
Molecular Formula C26H33F3N2O2
Exact Mass 462.249413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0dXGGWnIyI
Name (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33F3N2O2
InChI InChI=1S/C26H33F3N2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(32)33-23)16-30-9-11-31(12-10-30)19-7-3-6-18(13-19)26(27,28)29/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey JPGONSRADJKPOD-SSHIOZSPSA-N
Molecular Weight 462.557 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-000f-7950000000-192611247c3e0c3c9e25
Synonyms (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-8a-methyl-5-methylidene-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Wiley ID 1444862