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Methyl benzyloxycarbonylamino-3-[(4-methylphenyl)sulfinyl]-2-trifluoromethylpropionate
SpectraBase Compound ID Eic8TMGgyqC
InChI InChI=1S/C20H20F3NO5S/c1-14-8-10-16(11-9-14)30(27)13-19(17(25)28-2,20(21,22)23)24-18(26)29-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,26)
InChIKey WPNCXSOAEFQUDP-UHFFFAOYSA-N
Mol Weight 443.44 g/mol
Molecular Formula C20H20F3NO5S
Exact Mass 443.101428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsCQaMg2bt6
Name Methyl benzyloxycarbonylamino-3-[(4-methylphenyl)sulfinyl]-2-trifluoromethylpropionate
Alternate Name(s) (2S,Rs)-Methyl -2-benzyloxycarbonylamino-3-[(4-methylphenyl)sulfinyl]-2-trifluoromethylpropionate (2S,Rs)-Methyl benzyloxycarbonylamino-3-[(4-methylphenyl)sulfinyl]-2-trifluoromethylpropionate Methyl 2-{[(benzyloxy)carbonyl]amino}-3,3,3-trifluoro-2-{[(4-methylphenyl)sulfinyl]methyl}propanoate Methyl-2- benzyloxycarbonylamino-3-[(4-methylphenyl)sulfinyl]-2-trifluoromethylpropionate
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Formula C20H20F3NO5S
InChI InChI=1S/C20H20F3NO5S/c1-14-8-10-16(11-9-14)30(27)13-19(17(25)28-2,20(21,22)23)24-18(26)29-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,26)
InChIKey WPNCXSOAEFQUDP-UHFFFAOYSA-N
Molecular Weight 443.437 g/mol
SMILES N(C(C(F)(F)F)(CS(c1ccc(cc1)C)=O)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-000i-5904000000-081575865215f708370f
Source of Spectrum QC-5-2014-6
Wiley ID 883817