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XANTHOPAPPIN_A;2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
SpectraBase Compound ID 6WHftje5lkI
InChI InChI=1S/C11H8S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-3,7,9-10H,1H3/b3-2+
InChIKey VDPJXBAVKXXKLA-NSCUHMNNSA-N
Mol Weight 172.24 g/mol
Molecular Formula C11H8S
Exact Mass 172.034671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aonUi5ehMY
Name XANTHOPAPPIN_A;2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8S
InChI InChI=1S/C11H8S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-3,7,9-10H,1H3/b3-2+
InChIKey VDPJXBAVKXXKLA-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 172.245 g/mol
Solvent CDCl3
Source File Reference UWMZ15622