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(1S2S,5S,6R)-5-[3,3,3-Trifluoro-2-((S)-methoxy)-2-phenyl-propionyloxy]-bicyclo[4.2.0]octane-2-carboxylic acid methyl ester
SpectraBase Compound ID GkD3NjCDAOF
InChI InChI=1S/C20H23F3O5/c1-26-17(24)15-10-11-16(14-9-8-13(14)15)28-18(25)19(27-2,20(21,22)23)12-6-4-3-5-7-12/h3-7,13-16H,8-11H2,1-2H3/t13-,14+,15-,16-,19-/m0/s1
InChIKey XVYMVWGWQOCWAY-SPCJURDBSA-N
Mol Weight 400.39 g/mol
Molecular Formula C20H23F3O5
Exact Mass 400.149758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZIT2Gk7b6q
Name (1S2S,5S,6R)-5-[3,3,3-Trifluoro-2-((S)-methoxy)-2-phenyl-propionyloxy]-bicyclo[4.2.0]octane-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23F3O5
InChI InChI=1S/C20H23F3O5/c1-26-17(24)15-10-11-16(14-9-8-13(14)15)28-18(25)19(27-2,20(21,22)23)12-6-4-3-5-7-12/h3-7,13-16H,8-11H2,1-2H3/t13-,14+,15-,16-,19-/m0/s1
InChIKey XVYMVWGWQOCWAY-SPCJURDBSA-N
Molecular Weight 400.394 g/mol
SMILES [C@](C(O[C@@]1([C@]2([C@@]([H])([C@](CC1)(C(=O)OC)[H])CC2)[H])[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-052r-1900000000-011fdc3c8e05d3c56689
Source of Spectrum F4-39-3904-17
Synonyms Methyl (2R,5S) and (2S,5R)-5-{[(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}bicyclo[4.2.0]octane-2-carboxylate
Wiley ID 1670013