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(3aR,8aR,9aR)-3-[[(4-fluorobenzyl)amino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[[(4-fluorobenzyl)amino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID 2JkKuyALruB
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/h5-8,17-20,24H,1,3-4,9-13H2,2H3/t17-,18?,19?,20-,22-/m1/s1
InChIKey LRVWHXPTQLKMLD-PGISDNGRSA-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 H6c2c8M6k88
Name (3aR,8aR,9aR)-3-[[(4-fluorobenzyl)amino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h5-8,17-20,24H,1,3-4,9-13H2,2H3/t17-,18?,19?,20-,22-/m1/s1
InChIKey LRVWHXPTQLKMLD-PGISDNGRSA-N
Molecular Weight 357.469 g/mol
SMILES N(CC1C(O[C@@]2(C[C@]3(CCCC(C3C[C@]12[H])=C)C)[H])=O)Cc1ccc(cc1)F
SPLASH splash10-00di-1900000000-944573e22341c0476955
Synonyms (3aR,8aR,9aR)-3-[[(4-fluorophenyl)methylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[(4-fluorophenyl)methylamino]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Wiley ID 1453117