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Alanine, 3-phenyl-N-(trifluoroacetyl)-, butyl ester, L-
SpectraBase Compound ID B3Sl8YHWspK
InChI InChI=1S/C15H18F3NO3/c1-2-3-9-22-13(20)12(19-14(21)15(16,17)18)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,19,21)
InChIKey APGGCCFPMAPWKS-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C15H18F3NO3
Exact Mass 317.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNxbrzV2Thc
Name Alanine, 3-phenyl-N-(trifluoroacetyl)-, butyl ester, L-
Alternate Name(s) 3-Phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid butyl ester Butyl 3-phenyl-2-[(trifluoroacetyl)amino]propanoate 3-Phenyl-2-[(2,2,2-trifluoroacetyl)amino]propionic acid butyl ester L-Phenylalanine, N-(trifluoroacetyl)-, butyl ester Butyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate Butyl 3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Phe, butyl ester, TFA
CAS Registry Number 52574-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18F3NO3
InChI InChI=1S/C15H18F3NO3/c1-2-3-9-22-13(20)12(19-14(21)15(16,17)18)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,19,21)
InChIKey APGGCCFPMAPWKS-UHFFFAOYSA-N
Molecular Weight 317.308 g/mol
SMILES N(C(C(F)(F)F)=O)C(C(=O)OCCCC)Cc1ccccc1
SPLASH splash10-0f6y-9720000000-8047ee0bf6246be3f2b4
Source of Spectrum O-26-615-0
Wiley ID 1317570