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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 IKgLWq4f0kn
Name XANTHOTOXIN;8-METHOXYPSORALEN
Compound Number 1
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 P.C.STEVENSON,M.S.J.SIMMONDS,M.A.YULE,N.C.VEITCH,G.C.KITE,D. IRWIN,M.LEGG
Literature Reference Citation PHYTOCHEM.,63,41(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00748-3
Molecular Weight 216.193 g/mol
Solvent CD3OD
Source File Reference UWLU29678