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METHOXY-8-(3''-HYDROXYMETHYL-BUT-2-ENYLOXY)-PSORALEN
SpectraBase Compound ID 6f3ALQME2ii
InChI InChI=1S/C17H16O6/c1-10(9-18)5-7-22-17-15-12(6-8-21-15)14(20-2)11-3-4-13(19)23-16(11)17/h3-6,8,18H,7,9H2,1-2H3/b10-5-
InChIKey KMKUKYQGOPARRG-YHYXMXQVSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kB8HJ6k2Ql
Name METHOXY-8-(3''-HYDROXYMETHYL-BUT-2-ENYLOXY)-PSORALEN
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-10(9-18)5-7-22-17-15-12(6-8-21-15)14(20-2)11-3-4-13(19)23-16(11)17/h3-6,8,18H,7,9H2,1-2H3/b10-5-
InChIKey KMKUKYQGOPARRG-YHYXMXQVSA-N
Literature Reference Author B.HENEKA,H.RIMPLER,A.ANKLI,O.STICHER,S.GIBBONS,M.HEINRICH
Literature Reference Citation PHYTOCHEM.,66,649(2005)
Literature Reference DOI 10.1016/j.phytochem.2004.12.005
Molecular Weight 316.310 g/mol
Solvent CDCl3
Source File Reference UWVN29793