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5-METHOXY-3-(3-METHYL-2,3-DIHYDROXYBUTYL)-PSORALEN
SpectraBase Compound ID LkwLFZnoHzq
InChI InChI=1S/C17H18O6/c1-17(2,20)14(18)7-9-6-11-13(23-16(9)19)8-12-10(4-5-22-12)15(11)21-3/h4-6,8,14,18,20H,7H2,1-3H3
InChIKey DAVFRMKSTZLULF-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uNX5MdW4CM
Name 5-METHOXY-3-(3-METHYL-2,3-DIHYDROXYBUTYL)-PSORALEN
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-17(2,20)14(18)7-9-6-11-13(23-16(9)19)8-12-10(4-5-22-12)15(11)21-3/h4-6,8,14,18,20H,7H2,1-3H3
InChIKey DAVFRMKSTZLULF-UHFFFAOYSA-N
Literature Reference Author K.FRANKE,A.PORZEL,M.MASAOUD,G.ADAM,J.SCHMIDT
Literature Reference Citation PHYTOCHEM.,56,611(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00419-2
Molecular Weight 318.326 g/mol
Solvent CDCl3
Source File Reference UWVN1824