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(2S,3S)-1-phenyl-3-[4-(trifluoromethyl)phenyl]-2-aziridinecarboxylic acid ethyl ester
SpectraBase Compound ID K3U6MkKO3sK
InChI InChI=1S/C18H16F3NO2/c1-2-24-17(23)16-15(22(16)14-6-4-3-5-7-14)12-8-10-13(11-9-12)18(19,20)21/h3-11,15-16H,2H2,1H3/t15-,16-,22?/m0/s1
InChIKey XMRDIYZSVXXXFY-SOOSJGDTSA-N
Mol Weight 335.33 g/mol
Molecular Formula C18H16F3NO2
Exact Mass 335.113313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRrl9Tcc8ZI
Name (2S,3S)-1-phenyl-3-[4-(trifluoromethyl)phenyl]-2-aziridinecarboxylic acid ethyl ester
Alternate Name(s) (2S,3S)-1-phenyl-3-[4-(trifluoromethyl)phenyl]ethylenimine-2-carboxylic acid ethyl ester Ethyl (2S,3S)-1-phenyl-3-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylate
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Formula C18H16F3NO2
InChI InChI=1S/C18H16F3NO2/c1-2-24-17(23)16-15(22(16)14-6-4-3-5-7-14)12-8-10-13(11-9-12)18(19,20)21/h3-11,15-16H,2H2,1H3/t15-,16-,22?/m0/s1
InChIKey XMRDIYZSVXXXFY-SOOSJGDTSA-N
Molecular Weight 335.326 g/mol
SMILES [C@]1(N([C@]1(c1ccc(C(F)(F)F)cc1)[H])c1ccccc1)(C(=O)OCC)[H]
SPLASH splash10-0w29-0970000000-155b4ab7971de9bdab11
Source of Spectrum J-63-6843-4
Wiley ID 1331652