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5,8-DIMETHOXY-3-(3-METHYL-2,3-DIHYDROXYBUTYL)-PSORALEN
SpectraBase Compound ID 3ihddOppCyA
InChI InChI=1S/C18H20O7/c1-18(2,21)12(19)8-9-7-11-13(22-3)10-5-6-24-14(10)16(23-4)15(11)25-17(9)20/h5-7,12,19,21H,8H2,1-4H3
InChIKey ZGVWUTLWBHFMNG-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C18H20O7
Exact Mass 348.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6BJLOZH4La
Name 5,8-DIMETHOXY-3-(3-METHYL-2,3-DIHYDROXYBUTYL)-PSORALEN
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O7
InChI InChI=1S/C18H20O7/c1-18(2,21)12(19)8-9-7-11-13(22-3)10-5-6-24-14(10)16(23-4)15(11)25-17(9)20/h5-7,12,19,21H,8H2,1-4H3
InChIKey ZGVWUTLWBHFMNG-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 348.353 g/mol
Solvent CDCl3
Source File Reference UWVN1825