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3-(4-Bromophenyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID ADRbnVHGLGa
InChI InChI=1S/C19H15BrO2/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 JREPDKVBALRPGG-UHFFFAOYSA-N
Mol Weight 355.23 g/mol
Molecular Formula C19H15BrO2
Exact Mass 354.025543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Lri3rUS2cU
Name 3-(4-Bromophenyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
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Exact Mass 354.025542721 u
Formula C19H15BrO2
InChI InChI=1S/C19H15BrO2/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 JREPDKVBALRPGG-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 355.231 g/mol
Quality 34
Reported Formula C19H15BrO2
SMILES C12=C(C3=C(CO2)C(CC3=O)C2=CC=C(C=C2)Br)C=C(C=C1)C
SPLASH splash10-0k96-0609000000-3ac787fcd594ed3e0557
Source of Spectrum ACI-61-SM23-2j (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.24 (hexane/EtOAc, 5:1)
Wiley ID 1897924