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Psoralen

View entire compound with spectra: 23 NMR, 1 FTIR, 1 Raman, and 9 MS (GC)

Psoralen
SpectraBase Compound ID EQTMOUY6D5E
InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Mol Weight 186.17 g/mol
Molecular Formula C11H6O3
Exact Mass 186.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9h44K5sgmSp
Name PSORALEN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H6O3
InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Literature Reference Author R.M.KUSTER,R.R.BERNARDO,A.J.R.D.SILVA,J.P.PARENTE,W.B.MORS
Literature Reference Citation PHYTOCHEM.,36,221(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97041-9
Molecular Weight 186.167 g/mol
Solvent CDCl3
Source File Reference UWLU25960