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4- (Benzo[b]thiophen-3-yl)-3,6-dihydro-2H-pyran
SpectraBase Compound ID 4WwYrj4xd9Z
InChI InChI=1S/C13H12OS/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9H,6-8H2
InChIKey UAKSKJALIJFROT-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 FNE7sObshyT
Name 4- (Benzo[b]thiophen-3-yl)-3,6-dihydro-2H-pyran
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS
InChI InChI=1S/C13H12OS/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9H,6-8H2
InChIKey UAKSKJALIJFROT-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(CCOCC1)c1csc2c1cccc2
SPLASH splash10-014i-0950000000-fd554beaf3b3c2cea28d
Source of Spectrum ACI-58-SM21-6l
Thin-Layer Chromatography Rf = 0.25 (hexane/EtOAc 95:5, UV, KMnO4, PAA)
Wiley ID 1840522