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9-(2-HYDROXY-3-METHOXY-3-METHYLBUTOXY)-BERGAPTEN
SpectraBase Compound ID L35pimreskD
InChI InChI=1S/C18H20O7/c1-18(2,22-4)12(19)9-24-17-15-11(7-8-23-15)14(21-3)10-5-6-13(20)25-16(10)17/h5-8,12,19H,9H2,1-4H3
InChIKey SCGNAXSXMSFZME-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 8XHHlHW42Ce
Name 9-(2-HYDROXY-3-METHOXY-3-METHYLBUTOXY)-BERGAPTEN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O7
InChI InChI=1S/C18H20O7/c1-18(2,22-4)12(19)9-24-17-15-11(7-8-23-15)14(21-3)10-5-6-13(20)25-16(10)17/h5-8,12,19H,9H2,1-4H3
InChIKey SCGNAXSXMSFZME-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 348.353 g/mol
Solvent CDCl3
Source File Reference UWPA415