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3-(4-Methoxyphenyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID 4cufVHWazRi
InChI InChI=1S/C20H18O3/c1-12-3-8-19-16(9-12)20-17(11-23-19)15(10-18(20)21)13-4-6-14(22-2)7-5-13/h3-9,15H,10-11H2,1-2H3
InChIKey WCUXFEDIIFAPTD-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C20H18O3
Exact Mass 306.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2tcXjWKvpG
Name 3-(4-Methoxyphenyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
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Exact Mass 306.125594437 u
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-12-3-8-19-16(9-12)20-17(11-23-19)15(10-18(20)21)13-4-6-14(22-2)7-5-13/h3-9,15H,10-11H2,1-2H3
InChIKey WCUXFEDIIFAPTD-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 306.361 g/mol
Quality 57
Reported Formula C20H18O3
SMILES C12=C(C3=C(CO2)C(CC3=O)C2=CC=C(C=C2)OC)C=C(C=C1)C
SPLASH splash10-052f-0905000000-ccc9567c203d8cfb002c
Source of Spectrum ACI-61-SM25-2o (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.2 (hexane/EtOAc, 5:1)
Wiley ID 1897928