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(1'R,2S,3S)-(-)-1-(9-anthryl)-2,2,2-trifluoroethyl 2-methyltetrahydro-5-oxo-3-furancarboxylate

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(1'R,2S,3S)-(-)-1-(9-anthryl)-2,2,2-trifluoroethyl 2-methyltetrahydro-5-oxo-3-furancarboxylate
SpectraBase Compound ID 2GFCYtmK8HD
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-CYFODOTGSA-N
Mol Weight 402.37 g/mol
Molecular Formula C22H17F3O4
Exact Mass 402.107894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8AgDta7DoM
Name (1'R,2S,3S)-(-)-1-(9-anthryl)-2,2,2-trifluoroethyl 2-methyltetrahydro-5-oxo-3-furancarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.107893512 u
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-CYFODOTGSA-N
Molecular Weight 402.369 g/mol
SMILES [C@](C1=C2C(C=CC=C2)=CC=2C1=CC=CC2)(C(F)(F)F)(OC([C@@]1([C@@](OC(C1)=O)(C)[H])[H])=O)[H]