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N-((S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetyl)-3-(4'-chlorophenyl)-2-aminopropanoic acid trideuteromethyl ester
SpectraBase Compound ID 53qYyjQo559
InChI InChI=1S/C20H19ClF3NO4/c1-28-17(26)16(12-13-8-10-15(21)11-9-13)25-18(27)19(29-2,20(22,23)24)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,25,27)/t16?,19-/m0/s1/i1D3
InChIKey GNSHFVSWXLWWLF-SFPIGLCFSA-N
Mol Weight 432.84 g/mol
Molecular Formula C20H162D3ClF3NO4
Exact Mass 432.114301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Wy6ZjYaqFw
Name N-((S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetyl)-3-(4'-chlorophenyl)-2-aminopropanoic acid trideuteromethyl ester
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Formula C20H16D3ClF3NO4
InChI InChI=1S/C20H19ClF3NO4/c1-28-17(26)16(12-13-8-10-15(21)11-9-13)25-18(27)19(29-2,20(22,23)24)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,25,27)/t16?,19-/m0/s1/i1D3
InChIKey GNSHFVSWXLWWLF-SFPIGLCFSA-N
Molecular Weight 432.842 g/mol
SMILES N(C(C(=O)OC([2D])([2D])[2D])Cc1ccc(cc1)Cl)C(=O)[C@@](c1ccccc1)(C(F)(F)F)OC
SPLASH splash10-067j-0940000000-9bdc04260714d147235f
Source of Spectrum KO-5-35-19
Wiley ID 1381122