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9a-O-Methyl-Oxymitrone
SpectraBase Compound ID Dfc0TvhXU5J
InChI InChI=1S/C24H22O6/c1-28-23-14-17-10-6-7-11-20(17)30-24(23,29-2)15-19(26)21(22(23)27)18(25)13-12-16-8-4-3-5-9-16/h3-13,25H,14-15H2,1-2H3/b13-12+,21-18-/t23-,24-/m1/s1
InChIKey DTOFGOYMLFWLBI-XAHDHBNSSA-N
Mol Weight 406.43 g/mol
Molecular Formula C24H22O6
Exact Mass 406.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2snNcIOKDvh
Name 9a-O-Methyl-Oxymitrone
Alternate Name(s) (2Z,4aR,9aR)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione (2Z,4aR,9aR)-2-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione (2Z,4aR,9aR)-4a,9a-dimethoxy-2-[(E)-1-oxidanyl-3-phenyl-prop-2-enylidene]-4,9-dihydroxanthene-1,3-dione
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Formula C24H22O6
InChI InChI=1S/C24H22O6/c1-28-23-14-17-10-6-7-11-20(17)30-24(23,29-2)15-19(26)21(22(23)27)18(25)13-12-16-8-4-3-5-9-16/h3-13,25H,14-15H2,1-2H3/b13-12+,21-18-/t23-,24-/m1/s1
InChIKey DTOFGOYMLFWLBI-XAHDHBNSSA-N
Molecular Weight 406.434 g/mol
SMILES O\C(=C/1C([C@]2([C@@](CC1=O)(Oc1c(C2)cccc1)OC)OC)=O)\C=C\c1ccccc1
SPLASH splash10-004i-0932000000-89cf87ef1b06ed715c90
Source of Spectrum X2-53-297-2
Wiley ID 1603435