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1-(4-fluorophenyl)-4-(4-methoxyphenyl)-9Hthioxanthen-9-one
SpectraBase Compound ID 5FtKZKXnp73
InChI InChI=1S/C26H17FO2S/c1-29-19-12-8-17(9-13-19)21-15-14-20(16-6-10-18(27)11-7-16)24-25(28)22-4-2-3-5-23(22)30-26(21)24/h2-15H,1H3
InChIKey CKSPAXLIUVJZED-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C26H17FO2S
Exact Mass 412.093329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9U4CsieT0JO
Name 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-9Hthioxanthen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C26H17FO2S
InChI InChI=1S/C26H17FO2S/c1-29-19-12-8-17(9-13-19)21-15-14-20(16-6-10-18(27)11-7-16)24-25(28)22-4-2-3-5-23(22)30-26(21)24/h2-15H,1H3
InChIKey CKSPAXLIUVJZED-UHFFFAOYSA-N
Molecular Weight 412.478 g/mol
SMILES c12c(Sc3c(C2=O)cccc3)c(-c2ccc(cc2)OC)ccc1-c1ccc(cc1)F
SPLASH splash10-03di-0000900000-19eed5198827696d566c
Source of Spectrum F-68-721-11b
Wiley ID 1707475