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Xanthotoxol geranyl ether

View entire compound with spectra: 4 NMR, 2 FTIR, and 1 UV-Vis

Xanthotoxol geranyl ether
SpectraBase Compound ID Gopjl944lHl
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey SOVNCTNQAWWYAQ-OQLLNIDSSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SR272cHO5Y
Name 8-GERANYLOXY-PSORALEN
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey SOVNCTNQAWWYAQ-OQLLNIDSSA-N
Literature Reference Author J.KITAJIMA,C.OKAMURA,T.ISHIKAWA,Y.TANAKA
Literature Reference Citation CHEM.PHARM.BULL.,46,1939(1998)
Literature Reference DOI 10.1248/cpb.46.1939
Molecular Weight 338.403 g/mol
Solvent CDCl3
Source File Reference UWMS20932