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4'-CHLORO-1'-(5-PENTA-1,3-DIYN-1-YL-2-THIENYL)-BUT-2'-YN-3'-OL
SpectraBase Compound ID Gxv9uHMvhOT
InChI InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3
InChIKey YSYBCKHAFOAQDX-UHFFFAOYSA-N
Mol Weight 248.73 g/mol
Molecular Formula C13H9ClOS
Exact Mass 248.006264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AhjxTGOHUP
Name 4'-CHLORO-1'-(5-PENTA-1,3-DIYN-1-YL-2-THIENYL)-BUT-2'-YN-3'-OL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9ClOS
InChI InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3
InChIKey YSYBCKHAFOAQDX-UHFFFAOYSA-N
Literature Reference Author N.QUINTANA,T.L.WEIR,J.DU,C.D.BROECKING,J.P.RIEDER,F.R.STERMI TZ,M.W.PASCHKE,J.M.V
Literature Reference Citation PHYTOCHEM.,69,2572(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.07.015
Molecular Weight 248.727 g/mol
Sample ID 63182
Solvent CDCl3