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Bergamottin
SpectraBase Compound ID FOnv0gYbJSY
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yX5ErN0nfD
Name 5-(Geranyloxy)psoralen
Alternate Name(s) (E)-4-((3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Literature Reference DOI 10.1002/cber.19751080916
Molecular Weight 338.403 g/mol
SMILES c1coc2cc3OC(=O)C=Cc3c(OC\C=C\(CCC=C(C)C)C)c12
SPLASH splash10-0gb9-9080000000-fac7fb73ae8ec978ddf3
Source of Spectrum K-108-2958-11
Wiley ID 1794033