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3-(4-Chlorophenyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID L9YZ4rjMyir
InChI InChI=1S/C19H15ClO2/c1-11-2-7-18-15(8-11)19-16(10-22-18)14(9-17(19)21)12-3-5-13(20)6-4-12/h2-8,14H,9-10H2,1H3
InChIKey LRQQZFFMWGPFNL-UHFFFAOYSA-N
Mol Weight 310.78 g/mol
Molecular Formula C19H15ClO2
Exact Mass 310.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZkdOd9tOJH
Name 3-(4-Chlorophenyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
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Formula C19H15ClO2
InChI InChI=1S/C19H15ClO2/c1-11-2-7-18-15(8-11)19-16(10-22-18)14(9-17(19)21)12-3-5-13(20)6-4-12/h2-8,14H,9-10H2,1H3
InChIKey LRQQZFFMWGPFNL-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 310.780 g/mol
Quality 34
Reported Formula C19H15ClO2
SMILES C12=C(C3=C(CO2)C(CC3=O)C2=CC=C(C=C2)Cl)C=C(C=C1)C
SPLASH splash10-03dl-0409000000-3b013477106ed16b1aa3
Source of Spectrum ACI-61-SM24-2l (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.37 (hexane/EtOAc, 5:1)
Wiley ID 1897926