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3,3"-Dibenzoyl[3]Staffane
SpectraBase Compound ID H3Nr6DWw7bW
InChI InChI=1S/C29H28O2/c30-22(20-7-3-1-4-8-20)24-11-26(12-24,13-24)28-17-29(18-28,19-28)27-14-25(15-27,16-27)23(31)21-9-5-2-6-10-21/h1-10H,11-19H2
InChIKey VLDDMQAEBICTHP-UHFFFAOYSA-N
Mol Weight 408.54 g/mol
Molecular Formula C29H28O2
Exact Mass 408.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4Q1iEfsUb3
Name 3,3"-Dibenzoyl[3]Staffane
Alternate Name(s) [3-(3-{3-benzoylbicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentan-1-yl](phenyl)methanone
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Formula C29H28O2
InChI InChI=1S/C29H28O2/c30-22(20-7-3-1-4-8-20)24-11-26(12-24,13-24)28-17-29(18-28,19-28)27-14-25(15-27,16-27)23(31)21-9-5-2-6-10-21/h1-10H,11-19H2
InChIKey VLDDMQAEBICTHP-UHFFFAOYSA-N
Molecular Weight 408.541 g/mol
SMILES C12(C34CC(C4)(C45CC(C5)(C(=O)c5ccccc5)C4)C3)CC(C1)(C(=O)c1ccccc1)C2
SPLASH splash10-0a4i-3900000000-3e3ad2debbaefe6b2964
Source of Spectrum C-114-614-3
Wiley ID 1373187