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N-((S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetyl)-3-phenyl-2-aminopropanoic acid,trideuteromethyl ester
SpectraBase Compound ID Di9m1hr7fKy
InChI InChI=1S/C20H20F3NO4/c1-27-17(25)16(13-14-9-5-3-6-10-14)24-18(26)19(28-2,20(21,22)23)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,24,26)/t16?,19-/m0/s1/i1D3
InChIKey ZYKJRVPQOHKCAO-SFPIGLCFSA-N
Mol Weight 398.4 g/mol
Molecular Formula C20H172D3F3NO4
Exact Mass 398.153273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzJlEonAh7p
Name N-((S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetyl)-3-phenyl-2-aminopropanoic acid,trideuteromethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17D3F3NO4
InChI InChI=1S/C20H20F3NO4/c1-27-17(25)16(13-14-9-5-3-6-10-14)24-18(26)19(28-2,20(21,22)23)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,24,26)/t16?,19-/m0/s1/i1D3
InChIKey ZYKJRVPQOHKCAO-SFPIGLCFSA-N
Molecular Weight 398.397 g/mol
SMILES N(C([C@](C(F)(F)F)(c1ccccc1)OC)=O)C(C(=O)OC([2D])([2D])[2D])Cc1ccccc1
SPLASH splash10-00lj-0900000000-27bf94bcf08cc7466ef5
Source of Spectrum KO-5-35-18
Wiley ID 1367007