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(1'S,2R,3R)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-Benzyltetrahydro-5-oxo-3-furancarboxylate
SpectraBase Compound ID 9G11N7xZTPK
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+/m1/s1
InChIKey XWYJPQLDIMLHSB-PLXFJCCSSA-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 ERlqsolECLE
Name (1'S,2R,3R)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethyl 2-Benzyltetrahydro-5-oxo-3-furancarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m1/s1
InChIKey XWYJPQLDIMLHSB-PLXFJCCSSA-N
Molecular Weight 478.467 g/mol
SMILES [C@@](c1c2c(cccc2)cc2c1cccc2)(C(F)(F)F)(OC([C@]1([C@](OC(C1)=O)(Cc1ccccc1)[H])[H])=O)[H]
SPLASH splash10-0a6r-0090300000-eadbf81d320bd6ed6f6c
Source of Spectrum QC-17-2350-10
Wiley ID 1638421