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5-(2-HYDROXY-3-METHOXY-3-METHYLBUTOXY)-PSORALEN
SpectraBase Compound ID JHE4RcMpDD4
InChI InChI=1S/C17H18O6/c1-17(2,20-3)14(18)9-22-16-10-4-5-15(19)23-13(10)8-12-11(16)6-7-21-12/h4-8,14,18H,9H2,1-3H3
InChIKey UHENVVIVPZCJOA-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 8AAhN0eJZO
Name 5-(2-HYDROXY-3-METHOXY-3-METHYLBUTOXY)-PSORALEN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-17(2,20-3)14(18)9-22-16-10-4-5-15(19)23-13(10)8-12-11(16)6-7-21-12/h4-8,14,18H,9H2,1-3H3
InChIKey UHENVVIVPZCJOA-UHFFFAOYSA-N
Literature Reference Author O.BERGENDORFF,K.DEKERMENDJIAN,M.NIELSEN,R.SHAN,R.WITT,J.AI,O .STERNER
Literature Reference Citation PHYTOCHEM.,44,1121(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00703-0
Molecular Weight 318.326 g/mol
Solvent CDCl3
Source File Reference UWPA411