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Xanthotoxin
SpectraBase Compound ID 4oKGjGfjICN
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Mol Weight 216.19 g/mol
Molecular Formula C12H8O4
Exact Mass 216.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ce5uFlZknBw
Name XANTHOTOXIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8O4
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Literature Reference Author F.HE,M.WANG,M.GAO,M.ZHAO,Y.BAI,C.ZHAO
Literature Reference Citation MOLECULES,19,4046(2014)
Literature Reference DOI 10.3390/molecules19044046
Molecular Weight 216.193 g/mol
Solvent CDCl3
Source File Reference UWBT14516