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XANTHOPAPPIN_B;5-(2-CHLORO-1-HYDROXYETHYL)-2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE

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XANTHOPAPPIN_B;5-(2-CHLORO-1-HYDROXYETHYL)-2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
SpectraBase Compound ID HRBZfOlTBYC
InChI InChI=1S/C13H11ClOS/c1-2-3-4-5-6-7-11-8-9-13(16-11)12(15)10-14/h2-3,8-9,12,15H,10H2,1H3/b3-2+
InChIKey MMMJOLFAYHLDBI-NSCUHMNNSA-N
Mol Weight 250.74 g/mol
Molecular Formula C13H11ClOS
Exact Mass 250.021914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eToHeqxGWA
Name XANTHOPAPPIN_B;5-(2-CHLORO-1-HYDROXYETHYL)-2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClOS
InChI InChI=1S/C13H11ClOS/c1-2-3-4-5-6-7-11-8-9-13(16-11)12(15)10-14/h2-3,8-9,12,15H,10H2,1H3/b3-2+
InChIKey MMMJOLFAYHLDBI-NSCUHMNNSA-N
Literature Reference Author Y.TIAN,X.WEI,H.XU
Literature Reference Citation J.NAT.PROD.,69,1241(2006)
Literature Reference DOI 10.1021/np060209b
Molecular Weight 250.743 g/mol
Solvent CDCl3
Source File Reference UWMZ15623