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(S)-N-Methylphenylalanine allyl ester hydrotrifluoro acetate
SpectraBase Compound ID G32920D3RNW
InChI InChI=1S/C13H17NO2.C2HF3O2/c1-3-9-16-13(15)12(14-2)10-11-7-5-4-6-8-11;3-2(4,5)1(6)7/h3-8,12,14H,1,9-10H2,2H3;(H,6,7)/t12-;/m0./s1
InChIKey UNILXJWBTBEZJS-YDALLXLXSA-N
Mol Weight 333.307 g/mol
Molecular Formula C15H18F3NO4
Exact Mass 333.118793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DD1LJHPppah
Name (S)-N-Methylphenylalanine allyl ester hydrotrifluoro acetate
Alternate Name(s) Methyl-[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]ammonium;2,2,2-trifluoroacetate Methyl-[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]azanium;2,2,2-trifluoroacetate [(1S)-2-allyloxy-1-benzyl-2-oxo-ethyl]-methyl-ammonium;2,2,2-trifluoroacetate Methyl-[(2S)-1-oxidanylidene-3-phenyl-1-prop-2-enoxy-propan-2-yl]azanium;2,2,2-tris(fluoranyl)ethanoate
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Formula C15H18F3NO4
InChI InChI=1S/C13H17NO2.C2HF3O2/c1-3-9-16-13(15)12(14-2)10-11-7-5-4-6-8-11;3-2(4,5)1(6)7/h3-8,12,14H,1,9-10H2,2H3;(H,6,7)/t12-;/m0./s1
InChIKey UNILXJWBTBEZJS-YDALLXLXSA-N
Molecular Weight 333.307 g/mol
SMILES N([C@](C(=O)OCC=C)(Cc1ccccc1)[H])C.OC(C(F)(F)F)=O
SPLASH splash10-004r-0900000000-ced7452dcdb8ffe5f1f3
Source of Spectrum QE-5-233-27
Wiley ID 843950