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2-[6,8-difluoro-7-(1-hydroxy-2-keto-2-methoxy-1-methyl-ethyl)-1-phenanthryl]-2-hydroxy-propionic acid methyl ester
SpectraBase Compound ID 7VVdVT3JgsT
InChI InChI=1S/C22H20F2O6/c1-21(27,19(25)29-3)15-7-5-6-11-12(15)8-9-13-14(11)10-16(23)17(18(13)24)22(2,28)20(26)30-4/h5-10,27-28H,1-4H3
InChIKey WQJSGQVAKYJFBT-UHFFFAOYSA-N
Mol Weight 418.39 g/mol
Molecular Formula C22H20F2O6
Exact Mass 418.122795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47F5BpXyvXF
Name 2-[6,8-difluoro-7-(1-hydroxy-2-keto-2-methoxy-1-methyl-ethyl)-1-phenanthryl]-2-hydroxy-propionic acid methyl ester
Alternate Name(s) 2-[6,8-difluoro-7-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-1-phenanthrenyl]-2-hydroxypropanoic acid methyl ester Methyl 2-[6,8-bis(fluoranyl)-7-(1-methoxy-2-oxidanyl-1-oxidanylidene-propan-2-yl)phenanthren-1-yl]-2-oxidanyl-propanoate Methyl 2-[6,8-difluoro-7-(1-hydroxy-2-methoxy-1-methyl-2-oxo-ethyl)-1-phenanthryl]-2-hydroxy-propanoate Methyl 2-[6,8-difluoro-7-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)phenanthren-1-yl]-2-hydroxypropanoate
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Formula C22H20F2O6
InChI InChI=1S/C22H20F2O6/c1-21(27,19(25)29-3)15-7-5-6-11-12(15)8-9-13-14(11)10-16(23)17(18(13)24)22(2,28)20(26)30-4/h5-10,27-28H,1-4H3
InChIKey WQJSGQVAKYJFBT-UHFFFAOYSA-N
Molecular Weight 418.393 g/mol
SMILES OC(c1cccc2c3cc(c(C(C)(C(=O)OC)O)c(c3ccc12)F)F)(C(=O)OC)C
SPLASH splash10-0a4i-1019100000-720e101867b5313a073d
Source of Spectrum F-70-619-27
Wiley ID 1596094