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(4S,7S)-4,7-diphenylbicyclo[3.2.1]oct-2-en-8-one
SpectraBase Compound ID DxhUdgzf2aU
InChI InChI=1S/C20H18O/c21-20-17-12-11-16(14-7-3-1-4-8-14)19(20)13-18(17)15-9-5-2-6-10-15/h1-12,16-19H,13H2/t16-,17-,18-,19-/m1/s1
InChIKey YACAGIQQXHXVIV-NCXUSEDFSA-N
Mol Weight 274.36 g/mol
Molecular Formula C20H18O
Exact Mass 274.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3v8nEzkybw
Name (4S,7S)-4,7-diphenylbicyclo[3.2.1]oct-2-en-8-one
Alternate Name(s) (4S,7S)-endo-4,endo-4,7-Diphenylbicyclo[3.2.1]oct-2-en-8-one endo-4,endo-7-Diphenylbicyclo[3.2.1]oct-2-en-8-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H18O
InChI InChI=1S/C20H18O/c21-20-17-12-11-16(14-7-3-1-4-8-14)19(20)13-18(17)15-9-5-2-6-10-15/h1-12,16-19H,13H2/t16-,17-,18-,19-/m1/s1
InChIKey YACAGIQQXHXVIV-NCXUSEDFSA-N
Molecular Weight 274.363 g/mol
SMILES [C@@]12(C([C@@]([C@](C2)(c2ccccc2)[H])(C=C[C@@]1(c1ccccc1)[H])[H])=O)[H]
SPLASH splash10-00di-0970000000-95ca184cedb90d027701
Source of Spectrum SO-0-493-11
Wiley ID 873585