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2-(4-Methoxyphenyl)-5-(4-trifluoromethylphenyl)-3,4-ethylenedioxythiophene
SpectraBase Compound ID BU722RwLpQi
InChI InChI=1S/C20H15F3O3S/c1-24-15-8-4-13(5-9-15)19-17-16(25-10-11-26-17)18(27-19)12-2-6-14(7-3-12)20(21,22)23/h2-9H,10-11H2,1H3
InChIKey KALXZZQMDOSULA-UHFFFAOYSA-N
Mol Weight 392.39 g/mol
Molecular Formula C20H15F3O3S
Exact Mass 392.0694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ax9vxzDv9d
Name 2-(4-Methoxyphenyl)-5-(4-trifluoromethylphenyl)-3,4-ethylenedioxythiophene
Appearance Colorless solid
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Formula C20H15F3O3S
InChI InChI=1S/C20H15F3O3S/c1-24-15-8-4-13(5-9-15)19-17-16(25-10-11-26-17)18(27-19)12-2-6-14(7-3-12)20(21,22)23/h2-9H,10-11H2,1H3
InChIKey KALXZZQMDOSULA-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712081
Molecular Weight 392.392 g/mol
Quality 52
Reported Formula C20H15F3O3S
SMILES C1(=C2C(=C(S1)C1=CC=C(C=C1)C(F)(F)F)OCCO2)C1=CC=C(C=C1)OC
SPLASH splash10-0udl-0619000000-f5efe4c0fad05dd6c5ac
Source of Spectrum ACI-57-SM9-8 (DOI: 10.1002/anie.201712081)
Thin-Layer Chromatography 0.22 (hexane/ethyl acetate, 10:1)
Wiley ID 1891206