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2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-

View entire compound with spectra: 1 MS (GC)

2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
SpectraBase Compound ID 4VoHJNS51gg
InChI InChI=1S/C26H35ClN2O3/c1-16-6-7-18(27)13-20(16)29-11-9-28(10-12-29)15-19-22-21(31-24(19)30)14-25(3)8-4-5-17(2)26(25)23(22)32-26/h6-7,13,17,19,21-23H,4-5,8-12,14-15H2,1-3H3
InChIKey QCVIXAABXULAPJ-UHFFFAOYSA-N
Mol Weight 459.0 g/mol
Molecular Formula C26H35ClN2O3
Exact Mass 458.233621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yScfgDlFdH
Name 2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
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Formula C26H35ClN2O3
InChI InChI=1S/C26H35ClN2O3/c1-16-6-7-18(27)13-20(16)29-11-9-28(10-12-29)15-19-22-21(31-24(19)30)14-25(3)8-4-5-17(2)26(25)23(22)32-26/h6-7,13,17,19,21-23H,4-5,8-12,14-15H2,1-3H3
InChIKey QCVIXAABXULAPJ-UHFFFAOYSA-N
Molecular Weight 459.030 g/mol
SMILES C123C(C4C(C(=O)OC4CC3(CCCC1C)C)CN1CCN(CC1)c1cc(Cl)ccc1C)O2
SPLASH splash10-00di-3890300000-a90ea820c6e7f7c41022
Synonyms 9-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9H)-one
Wiley ID 1444444