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(1'S,2S)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-methyltetrahydro-5-oxo-3-furancarboxylate
SpectraBase Compound ID BAabkCaqjOM
InChI InChI=1S/C22H17F3O4/c1-12-17(11-18(26)28-12)21(27)29-20(22(23,24)25)19-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)19/h2-10,12,17,20H,11H2,1H3/t12-,17?,20-/m0/s1
InChIKey RBICPEWNJIDDNA-HQWCKNPASA-N
Mol Weight 402.37 g/mol
Molecular Formula C22H17F3O4
Exact Mass 402.107894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HARfdWFlOCy
Name (1'S,2S)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-methyltetrahydro-5-oxo-3-furancarboxylate
Alternate Name(s) (1'S,2S,3S)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-methyltetrahydro-5-oxo-3-furancarboxylate (1S)-1-(9-anthryl)-2,2,2-trifluoroethyl (2S)-2-methyl-5-oxotetrahydro-3-furancarboxylate
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Formula C22H17F3O4
InChI InChI=1S/C22H17F3O4/c1-12-17(11-18(26)28-12)21(27)29-20(22(23,24)25)19-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)19/h2-10,12,17,20H,11H2,1H3/t12-,17?,20-/m0/s1
InChIKey RBICPEWNJIDDNA-HQWCKNPASA-N
Molecular Weight 402.369 g/mol
SMILES [C@@](c1c2c(cccc2)cc2c1cccc2)(C(F)(F)F)(OC(C1[C@@](OC(C1)=O)(C)[H])=O)[H]
SPLASH splash10-0a4i-0090400000-fcce81b614eab1d47a8a
Source of Spectrum QC-17-2352-16
Wiley ID 1638417