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3-(4-Bromophenyl)-8-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID 7LtfmgGXzJU
InChI InChI=1S/C19H15BrO3/c1-22-13-6-7-18-15(8-13)19-16(10-23-18)14(9-17(19)21)11-2-4-12(20)5-3-11/h2-8,14H,9-10H2,1H3
InChIKey YTYUCBHHCYHJSN-UHFFFAOYSA-N
Mol Weight 371.23 g/mol
Molecular Formula C19H15BrO3
Exact Mass 370.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBzEs4Dtgwa
Name 3-(4-Bromophenyl)-8-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
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Formula C19H15BrO3
InChI InChI=1S/C19H15BrO3/c1-22-13-6-7-18-15(8-13)19-16(10-23-18)14(9-17(19)21)11-2-4-12(20)5-3-11/h2-8,14H,9-10H2,1H3
InChIKey YTYUCBHHCYHJSN-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 371.230 g/mol
Quality 8
Reported Formula C19H15BrO3
SMILES C12=C(C3=C(CO2)C(CC3=O)C2=CC=C(C=C2)Br)C=C(C=C1)OC
SPLASH splash10-03k9-0944000000-07c4f854396a5b8f405f
Source of Spectrum ACI-61-SM24-2k (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.32 (hexane/EtOAc, 5:1)
Wiley ID 1897925