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4.alpha.-acetoxy-3,4,4a.beta.,5,6,7,8.8a.beta.-octahydro-8a-trifluoromethylnaphthalene-1,6(2H,7H)-dione
SpectraBase Compound ID Jc4KHz3AFUB
InChI InChI=1S/C13H15F3O4/c1-7(17)20-10-2-3-11(19)12(13(14,15)16)5-4-8(18)6-9(10)12/h9-10H,2-6H2,1H3/t9?,10-,12?/m0/s1
InChIKey ADJYTFXSTHCARB-YZRBJQDESA-N
Mol Weight 292.25 g/mol
Molecular Formula C13H15F3O4
Exact Mass 292.092243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CNCjJLjFwq
Name 4.alpha.-acetoxy-3,4,4a.beta.,5,6,7,8.8a.beta.-octahydro-8a-trifluoromethylnaphthalene-1,6(2H,7H)-dione
Comments Less than 3 mono-isotopic peaks
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Formula C13H15F3O4
InChI InChI=1S/C13H15F3O4/c1-7(17)20-10-2-3-11(19)12(13(14,15)16)5-4-8(18)6-9(10)12/h9-10H,2-6H2,1H3/t9?,10-,12?/m0/s1
InChIKey ADJYTFXSTHCARB-YZRBJQDESA-N
Molecular Weight 292.254 g/mol
SMILES C12(C([C@@](OC(=O)C)(CCC2=O)[H])CC(CC1)=O)C(F)(F)F
SPLASH splash10-0udi-0090000000-82d6c2b4c567f671aae5
Source of Spectrum KC-1991-1124-21
Synonyms (1S)-4,7-dioxo-4a-(trifluoromethyl)decahydro-1-naphthalenyl acetate
Wiley ID 1295053