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L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylbutyl ester
SpectraBase Compound ID AUDtDRN89AO
InChI InChI=1S/C16H20F3NO3/c1-3-7-11(2)23-14(21)13(20-15(22)16(17,18)19)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,20,22)
InChIKey WGAUBWBHAWEYAN-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H20F3NO3
Exact Mass 331.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kHjUyiX8fk
Name L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylbutyl ester
Alternate Name(s) 1-Methylbutyl 3-phenyl-2-[(trifluoroacetyl)amino]propanoate 1-Methylbutyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate 3-Phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid pentan-2-yl ester 3-Phenyl-2-[(2,2,2-trifluoroacetyl)amino]propionic acid 1-methylbutyl ester Pentan-2-yl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate Pentan-2-yl 3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
CAS Registry Number 58072-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20F3NO3
InChI InChI=1S/C16H20F3NO3/c1-3-7-11(2)23-14(21)13(20-15(22)16(17,18)19)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,20,22)
InChIKey WGAUBWBHAWEYAN-UHFFFAOYSA-N
Molecular Weight 331.335 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OC(C)CCC)C(C(F)(F)F)=O
SPLASH splash10-0007-9510000000-1dad688ea30869f2ec67
Source of Spectrum W5-29629-0-0
Wiley ID 1328596