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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID neSR7sohwg
Name Xanthopappin B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 250.743 g/mol
SMILES OC(c1sc(C#CC#C\C=C\C)cc1)CCl
SPLASH splash10-0udi-0190000000-1a24cb7ed601d75e2489
Source of Spectrum G4-69-1243-2
Synonyms 2-Chloro-1-[5-[(E)-hept-5-en-1,3-diynyl]-2-thiophenyl]ethanol 2-Chloro-1-[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]ethanol 2-Chloranyl-1-[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]ethanol
Wiley ID 1694485