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7-(tert-Butyl)-3-phenyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID 8uBq4So1vPP
InChI InChI=1S/C22H22O2/c1-22(2,3)15-9-10-16-20(11-15)24-13-18-17(12-19(23)21(16)18)14-7-5-4-6-8-14/h4-11,17H,12-13H2,1-3H3
InChIKey QGQFEWCIVTTWGE-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C22H22O2
Exact Mass 318.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FsXWmwqwEM
Name 7-(tert-Butyl)-3-phenyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Yellow oil
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Exact Mass 318.161979946 u
Formula C22H22O2
InChI InChI=1S/C22H22O2/c1-22(2,3)15-9-10-16-20(11-15)24-13-18-17(12-19(23)21(16)18)14-7-5-4-6-8-14/h4-11,17H,12-13H2,1-3H3
InChIKey QGQFEWCIVTTWGE-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 318.416 g/mol
Reported Formula C22H22O2
SMILES C1=2C=C(C(C)(C)C)C=CC2C=2C(=O)CC(C=3C=CC=CC3)C2CO1
SPLASH splash10-0gb9-0009000000-804db3a72c5b4989df92
Source of Spectrum ACI-61-SM21-2c (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.44 (hexane/EtOAc, 5:1)
Wiley ID 1897918