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(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-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 NMR, and 1 MS (GC)

(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID DRaN2OM2lLg
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/h3,6-7,13,20-21,23H,4-5,8-12,14-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey FEXOVCYMJHGVSI-ZTHJLXDFSA-N
Mol Weight 429.0 g/mol
Molecular Formula C25H33ClN2O2
Exact Mass 428.223056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KnszjKIwS
Name (3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33ClN2O2
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/h3,6-7,13,20-21,23H,4-5,8-12,14-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey FEXOVCYMJHGVSI-ZTHJLXDFSA-N
Molecular Weight 429.004 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1
SPLASH splash10-0bt9-7930000000-b3d734dde3d08cc51dce
Synonyms (3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Wiley ID 1445088