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(4S,5S)-4-anilino-4-[chloro(difluoro)methyl]-1,3-dioxane-5-carboxylic acid ethyl ester
SpectraBase Compound ID AVaCRHIJ3Kg
InChI InChI=1S/C14H16ClF2NO4/c1-2-21-12(19)11-8-20-9-22-13(11,14(15,16)17)18-10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13+/m1/s1
InChIKey HTZTZDKHHWFJRO-YPMHNXCESA-N
Mol Weight 335.73 g/mol
Molecular Formula C14H16ClF2NO4
Exact Mass 335.073592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L890xrXvR0V
Name (4S,5S)-4-anilino-4-[chloro(difluoro)methyl]-1,3-dioxane-5-carboxylic acid ethyl ester
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Formula C14H16ClF2NO4
InChI InChI=1S/C14H16ClF2NO4/c1-2-21-12(19)11-8-20-9-22-13(11,14(15,16)17)18-10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13+/m1/s1
InChIKey HTZTZDKHHWFJRO-YPMHNXCESA-N
Molecular Weight 335.735 g/mol
SMILES N([C@]1([C@@](C(=O)OCC)(COCO1)[H])C(F)(Cl)F)c1ccccc1
SPLASH splash10-0a4i-4941000000-e3edda826fc0bb0d5f8f
Source of Spectrum F-70-3804-3
Synonyms Ethyl (4S,5S)-4-anilino-4-[chloro(difluoro)methyl]-1,3-dioxane-5-carboxylate Ethyl (4S,5S)-4-[chloranyl-bis(fluoranyl)methyl]-4-phenylazanyl-1,3-dioxane-5-carboxylate
Wiley ID 1596849