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2-(4-chlorophenyl)-5-ethoxy-4-methyl-3-(trifluoromethylthio)furan
SpectraBase Compound ID 9ttxDh4PjRD
InChI InChI=1S/C14H12ClF3O2S/c1-3-19-13-8(2)12(21-14(16,17)18)11(20-13)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3
InChIKey NVDINUCYFMZMNH-UHFFFAOYSA-N
Mol Weight 336.76 g/mol
Molecular Formula C14H12ClF3O2S
Exact Mass 336.019863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aej3BSLjfL0
Name 2-(4-chlorophenyl)-5-ethoxy-4-methyl-3-(trifluoromethylthio)furan
Appearance Yellow solid
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Formula C14H12ClF3O2S
InChI InChI=1S/C14H12ClF3O2S/c1-3-19-13-8(2)12(21-14(16,17)18)11(20-13)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3
InChIKey NVDINUCYFMZMNH-UHFFFAOYSA-N
Instrument Name IonSpec FT-ICR
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000304
Molecular Weight 336.756 g/mol
Reported Formula C14H12ClF3O2S
SMILES c1(oc(c(c1SC(F)(F)F)C)OCC)-c1ccc(cc1)Cl
SPLASH splash10-0a4r-0709000000-3f9b4d12566cd445092a
Source of Spectrum ASC-362-SM11-3g
Wiley ID 1839335