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1-[(6',8'-Dihydroxy-1'-oxo-7'-methyl-1',3'-dihydrobenzoisofuran-3' (R / S)-yl)ethyl][.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenyl]acetate
SpectraBase Compound ID KHSfiEOrHcb
InChI InChI=1S/C21H19F3O7/c1-11(17-14-8-13(25)9-15(26)16(14)18(27)31-17)30-19(28)20(29-2,21(22,23)24)10-12-6-4-3-5-7-12/h3-9,11,17,25-26H,10H2,1-2H3/t11?,17-,20?/m0/s1
InChIKey GKDJTYCILKSQDZ-FHPLFHGYSA-N
Mol Weight 440.37 g/mol
Molecular Formula C21H19F3O7
Exact Mass 440.108287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6LJBt5eo1o
Name 1-[(6',8'-Dihydroxy-1'-oxo-7'-methyl-1',3'-dihydrobenzoisofuran-3' (R / S)-yl)ethyl][.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenyl]acetate
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Formula C21H19F3O7
InChI InChI=1S/C21H19F3O7/c1-11(17-14-8-13(25)9-15(26)16(14)18(27)31-17)30-19(28)20(29-2,21(22,23)24)10-12-6-4-3-5-7-12/h3-9,11,17,25-26H,10H2,1-2H3/t11?,17-,20?/m0/s1
InChIKey GKDJTYCILKSQDZ-FHPLFHGYSA-N
Molecular Weight 440.371 g/mol
SMILES Oc1cc2[C@@](OC(c2c(c1)O)=O)(C(OC(C(C(F)(F)F)(Cc1ccccc1)OC)=O)C)[H]
SPLASH splash10-056r-0940100000-c2cb59335d0c4105ad1d
Source of Spectrum G4-71-617-3a
Synonyms 1-[(6',8'-Dihydroxy-1'-oxo-7'-methyl-1',3'-dihydrobenzoisofuran-3' (S / R)-yl)ethyl][.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenyl]acetate 2-Benzyl-3,3,3-trifluoro-2-methoxy-propionic acid 1-((R)-4,6-dihydroxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-ethyl ester Pestaphthalide a-(R)-mtpa ester
Wiley ID 1714046