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2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
SpectraBase Compound ID J5t9newRft5
InChI InChI=1S/C25H33FN2O3/c1-16-6-5-9-24(2)14-20-21(22-25(16,24)31-22)17(23(29)30-20)15-27-10-12-28(13-11-27)19-8-4-3-7-18(19)26/h3-4,7-8,16-17,20-22H,5-6,9-15H2,1-2H3
InChIKey KIZXOVDPLWWWDO-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C25H33FN2O3
Exact Mass 428.247521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGlmSpohFO1
Name 2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33FN2O3
InChI InChI=1S/C25H33FN2O3/c1-16-6-5-9-24(2)14-20-21(22-25(16,24)31-22)17(23(29)30-20)15-27-10-12-28(13-11-27)19-8-4-3-7-18(19)26/h3-4,7-8,16-17,20-22H,5-6,9-15H2,1-2H3
InChIKey KIZXOVDPLWWWDO-UHFFFAOYSA-N
Molecular Weight 428.548 g/mol
SMILES C123C(C4C(C(=O)OC4CC3(CCCC1C)C)CN1CCN(CC1)c1c(F)cccc1)O2
SPLASH splash10-000f-1900000000-515d4f1a0e1213907b7d
Synonyms 9-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9H)-one
Wiley ID 1444442