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Benzo[f]benzofuran-2(3H)-one, 3-[[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl]-3a,4,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-
SpectraBase Compound ID LeoqSQrbWyP
InChI InChI=1S/C26H32FNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-22,24H,3-4,10-16H2,1-2H3/t21-,22?,24-,26-/m1/s1
InChIKey IZOZKBXFTWQRFR-VSYJZPKMSA-N
Mol Weight 409.5 g/mol
Molecular Formula C26H32FNO2
Exact Mass 409.241707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KVAJryYvtx
Name Benzo[f]benzofuran-2(3H)-one, 3-[[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl]-3a,4,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-
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Formula C26H32FNO2
InChI InChI=1S/C26H32FNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-22,24H,3-4,10-16H2,1-2H3/t21-,22?,24-,26-/m1/s1
InChIKey IZOZKBXFTWQRFR-VSYJZPKMSA-N
Molecular Weight 409.545 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CC=C(CC1)c1ccc(cc1)F
SPLASH splash10-004i-3900000000-70723df99e55061471c1
Source of Spectrum IY-1-4699-0
Synonyms (3aR,8aR,9aR)-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1654973