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3-[(4-Fluoro-benzylamino)-methyl]-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one
SpectraBase Compound ID DYbpBvEcqFI
InChI InChI=1S/C22H28FNO2/c1-14-4-3-9-22(2)11-20-17(10-19(14)22)18(21(25)26-20)13-24-12-15-5-7-16(23)8-6-15/h5-8,17-18,20,24H,3-4,9-13H2,1-2H3
InChIKey RQMDDMBXJIFXNQ-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C22H28FNO2
Exact Mass 357.210407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1TkoCp9HAg
Name 3-[(4-Fluoro-benzylamino)-methyl]-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one
Alternate Name(s) 3-[[(4-fluorobenzyl)amino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one 3-[[(4-fluorophenyl)methylamino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one 3-[[(4-fluorophenyl)methylamino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
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Formula C22H28FNO2
InChI InChI=1S/C22H28FNO2/c1-14-4-3-9-22(2)11-20-17(10-19(14)22)18(21(25)26-20)13-24-12-15-5-7-16(23)8-6-15/h5-8,17-18,20,24H,3-4,9-13H2,1-2H3
InChIKey RQMDDMBXJIFXNQ-UHFFFAOYSA-N
Molecular Weight 357.469 g/mol
SMILES N(CC1C(OC2CC3(CCCC(=C3CC12)C)C)=O)Cc1ccc(cc1)F
SPLASH splash10-05fr-1900000000-07ac927c4657670c504e
Wiley ID 1437633