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(3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)-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 BLLO4TFgSq6
InChI InChI=1S/C25H33FN2O2/c1-17-6-5-9-25(2)15-23-18(14-20(17)25)19(24(29)30-23)16-27-10-12-28(13-11-27)22-8-4-3-7-21(22)26/h3-4,7-8,18-20,23H,1,5-6,9-16H2,2H3/t18-,19?,20?,23-,25-/m1/s1
InChIKey FZFNSVTYWBAPRB-UKKDBOLMSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H33FN2O2
Exact Mass 412.252606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TvNPwLEBDP
Name (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-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 C25H33FN2O2
InChI InChI=1S/C25H33FN2O2/c1-17-6-5-9-25(2)15-23-18(14-20(17)25)19(24(29)30-23)16-27-10-12-28(13-11-27)22-8-4-3-7-21(22)26/h3-4,7-8,18-20,23H,1,5-6,9-16H2,2H3/t18-,19?,20?,23-,25-/m1/s1
InChIKey FZFNSVTYWBAPRB-UKKDBOLMSA-N
Molecular Weight 412.549 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1c(F)cccc1
SPLASH splash10-0006-5910100000-bc9a7e2ae83ec7c22acf
Synonyms (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Wiley ID 1445079