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(3E)-3-(4-chlorobenzylidene)thiochroman-4-one
SpectraBase Compound ID DeEGtn7Y6i7
InChI InChI=1S/C16H11ClOS/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9-
InChIKey YSJUUWPEUQHPJQ-XFXZXTDPSA-N
Mol Weight 286.78 g/mol
Molecular Formula C16H11ClOS
Exact Mass 286.021914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54DjRC9f3a8
Name (3E)-3-(4-chlorobenzylidene)thiochroman-4-one
Compound Number 1C-Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11ClOS
InChI InChI=1S/C16H11ClOS/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9-
InChIKey YSJUUWPEUQHPJQ-XFXZXTDPSA-N
Literature Reference Author G.TOTH,J.HALASZ,A.LEVAI,C.NEMES,T.PATONAY
Literature Reference Citation J.CHEM.SOC.PERKIN-2,547(1996)
Literature Reference DOI 10.1039/p29960000547
Molecular Weight 286.776 g/mol
Solvent C6D6
Source File Reference UWCP8180