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4-(4-Methoxyphenyl)-6-(4-(trifluoromethyl)phenyl)-1H-cyclopenta[c]furan-5(3H)-one
SpectraBase Compound ID KFfHzQciGBX
InChI InChI=1S/C21H15F3O3/c1-26-15-8-4-13(5-9-15)19-17-11-27-10-16(17)18(20(19)25)12-2-6-14(7-3-12)21(22,23)24/h2-9H,10-11H2,1H3
InChIKey VODYGGVPVMRDRL-UHFFFAOYSA-N
Mol Weight 372.34 g/mol
Molecular Formula C21H15F3O3
Exact Mass 372.097329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRp2Lm4hhWt
Name 4-(4-Methoxyphenyl)-6-(4-(trifluoromethyl)phenyl)-1H-cyclopenta[c]furan-5(3H)-one
Appearance Violet solid
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Formula C21H15F3O3
InChI InChI=1S/C21H15F3O3/c1-26-15-8-4-13(5-9-15)19-17-11-27-10-16(17)18(20(19)25)12-2-6-14(7-3-12)21(22,23)24/h2-9H,10-11H2,1H3
InChIKey VODYGGVPVMRDRL-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 372.343 g/mol
Reported Formula C21H15F3O3
SMILES c1(ccc(cc1)C(F)(F)F)C=1C(C(=C2COCC12)c1ccc(cc1)OC)=O
SPLASH splash10-0aor-9100000000-b4d6d780142f79829bf8
Source of Spectrum A1-23-SM27-2h
Thin-Layer Chromatography Rf = 0.19 (hexane/AcOEt, 5:1)
Wiley ID 1868031