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3-((4-Chlorophenoxy)methyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID FX5aDEYePqE
InChI InChI=1S/C20H17ClO3/c1-12-2-7-19-16(8-12)20-17(11-24-19)13(9-18(20)22)10-23-15-5-3-14(21)4-6-15/h2-8,13H,9-11H2,1H3
InChIKey QPYPXHTWFVLHBQ-UHFFFAOYSA-N
Mol Weight 340.81 g/mol
Molecular Formula C20H17ClO3
Exact Mass 340.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HX77nhlJvsn
Name 3-((4-Chlorophenoxy)methyl)-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless oil
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Exact Mass 340.086622104 u
Formula C20H17ClO3
InChI InChI=1S/C20H17ClO3/c1-12-2-7-19-16(8-12)20-17(11-24-19)13(9-18(20)22)10-23-15-5-3-14(21)4-6-15/h2-8,13H,9-11H2,1H3
InChIKey QPYPXHTWFVLHBQ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 340.806 g/mol
Reported Formula C20H17ClO3
SMILES C12=C(C3=C(CO2)C(CC3=O)COC2=CC=C(C=C2)Cl)C=C(C=C1)C
SPLASH splash10-052o-0749000000-01d59908570703834b6e
Source of Spectrum ACI-61-SM28-2y (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.19 (hexane/EtOAc, 5:1)
Wiley ID 1897938