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5-(6-HYDROXY-3,7-DIMETHYLOCTA-2,7-DIENYLOXY)-PSORALEN
SpectraBase Compound ID E3In6ySpvyL
InChI InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-15-5-7-20(23)26-19(15)12-18-16(21)9-11-24-18/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+
InChIKey GVJZHFXIIRJQIX-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 BGHqCVfHmTg
Name 5-(6-HYDROXY-3,7-DIMETHYLOCTA-2,7-DIENYLOXY)-PSORALEN
Compound Number 7
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)8-10-25-21-15-5-7-20(23)26-19(15)12-18-16(21)9-11-24-18/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+
InChIKey GVJZHFXIIRJQIX-RIYZIHGNSA-N
Literature Reference Author P.C.STEVENSON,M.S.J.SIMMONDS,M.A.YULE,N.C.VEITCH,G.C.KITE,D. IRWIN,M.LEGG
Literature Reference Citation PHYTOCHEM.,63,41(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00748-3
Molecular Weight 354.403 g/mol
Solvent CD3OD
Source File Reference UWLU29677