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4-((4-fluorophenyl)ethynyl)-3-(4-isopropoxyphenyl)-7-methoxy-2H-chromen-2-one
SpectraBase Compound ID 1keZK5CdNSK
InChI InChI=1S/C27H21FO4/c1-17(2)31-21-11-7-19(8-12-21)26-24(14-6-18-4-9-20(28)10-5-18)23-15-13-22(30-3)16-25(23)32-27(26)29/h4-5,7-13,15-17H,1-3H3
InChIKey HLXUSUJOPKUPIY-UHFFFAOYSA-N
Mol Weight 428.46 g/mol
Molecular Formula C27H21FO4
Exact Mass 428.142387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Afzz5fxdnU
Name 4-((4-fluorophenyl)ethynyl)-3-(4-isopropoxyphenyl)-7-methoxy-2H-chromen-2-one
Appearance Yellow solid
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Formula C27H21FO4
InChI InChI=1S/C27H21FO4/c1-17(2)31-21-11-7-19(8-12-21)26-24(14-6-18-4-9-20(28)10-5-18)23-15-13-22(30-3)16-25(23)32-27(26)29/h4-5,7-13,15-17H,1-3H3
InChIKey HLXUSUJOPKUPIY-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 428.459 g/mol
SMILES c1(OC)ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)F)c1ccc(cc1)OC(C)C)=O
SPLASH splash10-002u-3159300000-51d284519209a3c1ff78
Source of Spectrum AJO-10-SM91-4.8
Wiley ID 1866401