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exo-1,5-Diphenylbicyclo[2.1.1]hexane
SpectraBase Compound ID 87K3QFFYMnN
InChI InChI=1S/C18H18/c1-3-7-14(8-4-1)17-15-11-12-18(17,13-15)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2
InChIKey ZCYWVSJLAQOEBW-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C18H18
Exact Mass 234.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfmAgqRzIZN
Name exo-1,5-Diphenylbicyclo[2.1.1]hexane
Comments Less than 3 mono-isotopic peaks
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Formula C18H18
InChI InChI=1S/C18H18/c1-3-7-14(8-4-1)17-15-11-12-18(17,13-15)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2
InChIKey ZCYWVSJLAQOEBW-UHFFFAOYSA-N
Molecular Weight 234.342 g/mol
SMILES C12(C(c3ccccc3)C(C1)CC2)c1ccccc1
SPLASH splash10-0006-0910000000-4164201b841e3fee4fbe
Source of Spectrum AT-34-2326-3
Synonyms endo-1,5-Diphenylbicyclo[2.1.1]hexane 1,5-diphenylbicyclo[2.1.1]hexane
Wiley ID 852458