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3-(3,6-Dihydro-2H-thiopyran-4-yl)benzofuran
SpectraBase Compound ID GVvBFHkIRvu
InChI InChI=1S/C13H12OS/c1-2-4-13-11(3-1)12(9-14-13)10-5-7-15-8-6-10/h1-5,9H,6-8H2
InChIKey FKEXSLVLCWEVEZ-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61l42JBhj5p
Name 3-(3,6-Dihydro-2H-thiopyran-4-yl)benzofuran
Appearance Light yellow oil
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Formula C13H12OS
InChI InChI=1S/C13H12OS/c1-2-4-13-11(3-1)12(9-14-13)10-5-7-15-8-6-10/h1-5,9H,6-8H2
InChIKey FKEXSLVLCWEVEZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI pos
Literature Reference DOI 10.1002/anie.201810327
Molecular Weight 216.298 g/mol
Reported Formula C13H12OS
SMILES C=1(CCSCC1)c1coc2c1cccc2
SPLASH splash10-014r-0930000000-c9502af93586f3a3bf97
Source of Spectrum ACI-58-SM21-6m
Thin-Layer Chromatography Rf = 0.43 (hexane/EtOAc 98:2, UV, KMnO4, PAA)
Wiley ID 1840523