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3-(4-Fluorophenyl)-6-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID 55YFzBvkmqs
InChI InChI=1S/C19H15FO3/c1-22-17-4-2-3-13-18-15(10-23-19(13)17)14(9-16(18)21)11-5-7-12(20)8-6-11/h2-8,14H,9-10H2,1H3
InChIKey YHPNHSGQRMLXOT-UHFFFAOYSA-N
Mol Weight 310.32 g/mol
Molecular Formula C19H15FO3
Exact Mass 310.100523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLXFxB1o7gU
Name 3-(4-Fluorophenyl)-6-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15FO3
InChI InChI=1S/C19H15FO3/c1-22-17-4-2-3-13-18-15(10-23-19(13)17)14(9-16(18)21)11-5-7-12(20)8-6-11/h2-8,14H,9-10H2,1H3
InChIKey YHPNHSGQRMLXOT-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 310.324 g/mol
Quality 18
Reported Formula C19H15FO3
SMILES C12=C(C3=C(CO2)C(CC3=O)C2=CC=C(C=C2)F)C=CC=C1OC
SPLASH splash10-03di-0906000000-d08a83c79cf99d8d1343
Source of Spectrum ACI-61-SM23-2i (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.13 (hexane/EtOAc, 5:1)
Wiley ID 1897923