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(2S)-3-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester
SpectraBase Compound ID CPfaKm2z74Z
InChI InChI=1S/C12H12F3NO3/c1-19-10(17)9(16-11(18)12(13,14)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKey ZYMGRJXIRUWDLX-VIFPVBQESA-N
Mol Weight 275.23 g/mol
Molecular Formula C12H12F3NO3
Exact Mass 275.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZdUQgXrfcx
Name (2S)-3-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester
CAS Registry Number 23635-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F3NO3
InChI InChI=1S/C12H12F3NO3/c1-19-10(17)9(16-11(18)12(13,14)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKey ZYMGRJXIRUWDLX-VIFPVBQESA-N
Molecular Weight 275.227 g/mol
SMILES N(C(C(F)(F)F)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-01ox-7910000000-900b950b90e64ad24a62
Source of Spectrum AJ-69-738-0
Synonyms (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester Methyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate Methyl (2S)-3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 773604