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(3aR,8aR,9aR)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
SpectraBase Compound ID K7PA0s0Cso8
InChI InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13,20-21,24H,4-5,8-12,14-16H2,1-3H3/t20-,21?,24-,26-/m1/s1
InChIKey YAENZRSZELRANI-XAQHNUDOSA-N
Mol Weight 443.0 g/mol
Molecular Formula C26H35ClN2O2
Exact Mass 442.238706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2LGNLvfsUl
Name (3aR,8aR,9aR)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35ClN2O2
InChI InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13,20-21,24H,4-5,8-12,14-16H2,1-3H3/t20-,21?,24-,26-/m1/s1
InChIKey YAENZRSZELRANI-XAQHNUDOSA-N
Molecular Weight 443.031 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1C
SPLASH splash10-044i-1930000000-6ea430ea2f4bb3342b72
Synonyms (3aR,8aR,9aR)-3-[[4-(5-chloro-2-methyl-phenyl)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-(5-chloro-2-methyl-phenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1436457