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(3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID EJE7tUoDAfV
InChI InChI=1S/C25H33FN2O2/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-10-12-28(13-11-27)19-7-5-18(26)6-8-19/h5-8,20-21,23H,3-4,9-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey HVWGZKYGLNJPGC-ZTHJLXDFSA-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 71E4kYV2tQW
Name (3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Alternate Name(s) (3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
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Formula C25H33FN2O2
InChI InChI=1S/C25H33FN2O2/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-10-12-28(13-11-27)19-7-5-18(26)6-8-19/h5-8,20-21,23H,3-4,9-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey HVWGZKYGLNJPGC-ZTHJLXDFSA-N
Molecular Weight 412.549 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1ccc(cc1)F
SPLASH splash10-006x-6900000000-88caeb99dd08b0c3a7a4
Wiley ID 1445082