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(1'S,2S)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-Benzyltetrahydro-5-oxo-3-furancarboxylate

View entire compound with spectra: 1 MS (GC)

(1'S,2S)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-Benzyltetrahydro-5-oxo-3-furancarboxylate
SpectraBase Compound ID 1Mfzu2l2LBR
InChI InChI=1S/C28H21F3O4/c29-28(30,31)26(25-20-12-6-4-10-18(20)15-19-11-5-7-13-21(19)25)35-27(33)22-16-24(32)34-23(22)14-17-8-2-1-3-9-17/h1-13,15,22-23,26H,14,16H2/t22?,23-,26-/m0/s1
InChIKey XWYJPQLDIMLHSB-RGXIATLPSA-N
Mol Weight 478.47 g/mol
Molecular Formula C28H21F3O4
Exact Mass 478.139194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYyttoBHcWz
Name (1'S,2S)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-Benzyltetrahydro-5-oxo-3-furancarboxylate
Alternate Name(s) (1'S,2S,3R)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-Benzyltetrahydro-5-oxo-3-furancarboxylate (1S)-1-(9-anthryl)-2,2,2-trifluoroethyl (2S)-2-benzyl-5-oxotetrahydro-3-furancarboxylate
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Formula C28H21F3O4
InChI InChI=1S/C28H21F3O4/c29-28(30,31)26(25-20-12-6-4-10-18(20)15-19-11-5-7-13-21(19)25)35-27(33)22-16-24(32)34-23(22)14-17-8-2-1-3-9-17/h1-13,15,22-23,26H,14,16H2/t22?,23-,26-/m0/s1
InChIKey XWYJPQLDIMLHSB-RGXIATLPSA-N
Molecular Weight 478.467 g/mol
SMILES [C@@](c1c2c(cccc2)cc2c1cccc2)(C(F)(F)F)(OC(C1[C@@](OC(C1)=O)(Cc1ccccc1)[H])=O)[H]
SPLASH splash10-0a4i-0190100000-0fb7686c636591d4b606
Source of Spectrum QC-17-2351-12
Wiley ID 1638419