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cis-4-Triifluoromethyl-4-(4-bromophenyl)amino-5-ethoxycarbonyl-1,3-dioxane
SpectraBase Compound ID 1aNfIviXxNL
InChI InChI=1S/C14H15BrF3NO4/c1-2-22-12(20)11-7-21-8-23-13(11,14(16,17)18)19-10-5-3-9(15)4-6-10/h3-6,11,19H,2,7-8H2,1H3/t11-,13+/m1/s1
InChIKey NYYFFPOTTXJSIT-YPMHNXCESA-N
Mol Weight 398.18 g/mol
Molecular Formula C14H15BrF3NO4
Exact Mass 397.013655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgsrztSLDig
Name cis-4-Triifluoromethyl-4-(4-bromophenyl)amino-5-ethoxycarbonyl-1,3-dioxane
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Formula C14H15BrF3NO4
InChI InChI=1S/C14H15BrF3NO4/c1-2-22-12(20)11-7-21-8-23-13(11,14(16,17)18)19-10-5-3-9(15)4-6-10/h3-6,11,19H,2,7-8H2,1H3/t11-,13+/m1/s1
InChIKey NYYFFPOTTXJSIT-YPMHNXCESA-N
Molecular Weight 398.176 g/mol
SMILES N([C@]1([C@@](C(=O)OCC)(COCO1)[H])C(F)(F)F)c1ccc(cc1)Br
SPLASH splash10-0541-4609000000-b0788fa3b01c2b7bb6c6
Source of Spectrum F-70-3805-3
Synonyms Ethyl (4S,5S)-4-(4-bromoanilino)-4-(trifluoromethyl)-1,3-dioxane-5-carboxylate Ethyl (4S,5S)-4-[(4-bromophenyl)amino]-4-(trifluoromethyl)-1,3-dioxane-5-carboxylate
Wiley ID 1596843