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(S)-endo-6-Phenyl-2-(phenylethynyl)-bicyclo[3.2.1]oct-2-en-8-one
SpectraBase Compound ID 8nxG6ZOzl7M
InChI InChI=1S/C22H18O/c23-22-19-14-13-18(12-11-16-7-3-1-4-8-16)21(22)15-20(19)17-9-5-2-6-10-17/h1-10,13,19-21H,14-15H2/t19-,20+,21-/m0/s1
InChIKey HIUAVKIXANEXDB-HBMCJLEFSA-N
Mol Weight 298.38 g/mol
Molecular Formula C22H18O
Exact Mass 298.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gYrHcPJ9Zw
Name (S)-endo-6-Phenyl-2-(phenylethynyl)-bicyclo[3.2.1]oct-2-en-8-one
Alternate Name(s) (6S)-6-phenyl-2-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one endo-6-Phenyl-2-(phenylethynyl)-bicyclo[3.2.1]oct-2-en-8-one
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Formula C22H18O
InChI InChI=1S/C22H18O/c23-22-19-14-13-18(12-11-16-7-3-1-4-8-16)21(22)15-20(19)17-9-5-2-6-10-17/h1-10,13,19-21H,14-15H2/t19-,20+,21-/m0/s1
InChIKey HIUAVKIXANEXDB-HBMCJLEFSA-N
Molecular Weight 298.385 g/mol
SMILES C1([C@@]2(C(C#Cc3ccccc3)=CC[C@]1([C@@](c1ccccc1)(C2)[H])[H])[H])=O
SPLASH splash10-00ke-0950000000-1afd1321ef820c0fe3c3
Source of Spectrum SO-0-493-10
Wiley ID 873589