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8-[(2E)-6-OXO-3,7-DIMETHYLOCT-2-ENYLOXY]-PSORALEN
SpectraBase Compound ID JR0LpmG9FXN
InChI InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-13H,4,6,10H2,1-3H3/b14-8+
InChIKey MGSJQKGFMSBYEO-RIYZIHGNSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hc68zAkUkul
Name 8-[(2E)-6-OXO-3,7-DIMETHYLOCT-2-ENYLOXY]-PSORALEN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-13H,4,6,10H2,1-3H3/b14-8+
InChIKey MGSJQKGFMSBYEO-RIYZIHGNSA-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 354.403 g/mol
Solvent CDCl3
Source File Reference UWMS20931