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N-((S)-.alpha.-methoxy-.alpha.-(triflouromethyl)phenylacetyl)-3-(2',5',6'-trideutero-3',4'-dimethoxyphenyl)-2-aminopropanoic acid,methylester

View entire compound with spectra: 1 MS (GC)

N-((S)-.alpha.-methoxy-.alpha.-(triflouromethyl)phenylacetyl)-3-(2',5',6'-trideutero-3',4'-dimethoxyphenyl)-2-aminopropanoic acid,methylester
SpectraBase Compound ID D1OmuuVpdMt
InChI InChI=1S/C22H24F3NO6/c1-29-17-11-10-14(13-18(17)30-2)12-16(19(27)31-3)26-20(28)21(32-4,22(23,24)25)15-8-6-5-7-9-15/h5-11,13,16H,12H2,1-4H3,(H,26,28)/t16?,21-/m0/s1/i10D,11D,13D
InChIKey IJDIBRWKGLUMRH-LIEXCHAFSA-N
Mol Weight 458.45 g/mol
Molecular Formula C22H212D3F3NO6
Exact Mass 458.174402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4X9QRpu4VI9
Name N-((S)-.alpha.-methoxy-.alpha.-(triflouromethyl)phenylacetyl)-3-(2',5',6'-trideutero-3',4'-dimethoxyphenyl)-2-aminopropanoic acid,methylester
Alternate Name(s) N-((S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetyl)-3-(2',5',6'-trideutero-3',4'-dimethoxyphenyl)-2-aminopropanoic acid,methylester
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Formula C22H21D3F3NO6
InChI InChI=1S/C22H24F3NO6/c1-29-17-11-10-14(13-18(17)30-2)12-16(19(27)31-3)26-20(28)21(32-4,22(23,24)25)15-8-6-5-7-9-15/h5-11,13,16H,12H2,1-4H3,(H,26,28)/t16?,21-/m0/s1/i10D,11D,13D
InChIKey IJDIBRWKGLUMRH-LIEXCHAFSA-N
Molecular Weight 458.449 g/mol
SMILES N(C([C@](C(F)(F)F)(c1ccccc1)OC)=O)C(C(=O)OC)Cc1c(c(OC)c(c(c1[2D])[2D])OC)[2D]
SPLASH splash10-0udi-0910000000-7f1e885bec14e7aca387
Source of Spectrum KO-5-35-20
Wiley ID 1389007