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L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester)
SpectraBase Compound ID LGlhUtUpE09
InChI InChI=1S/C17H17F6NO5/c1-2-3-8-28-13(25)12(24-14(26)16(18,19)20)9-10-4-6-11(7-5-10)29-15(27)17(21,22)23/h4-7,12H,2-3,8-9H2,1H3,(H,24,26)
InChIKey BFQHENRWMAGCOB-UHFFFAOYSA-N
Mol Weight 429.32 g/mol
Molecular Formula C17H17F6NO5
Exact Mass 429.101092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ynLkDywkdz
Name L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester)
CAS Registry Number 5282-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F6NO5
InChI InChI=1S/C17H17F6NO5/c1-2-3-8-28-13(25)12(24-14(26)16(18,19)20)9-10-4-6-11(7-5-10)29-15(27)17(21,22)23/h4-7,12H,2-3,8-9H2,1H3,(H,24,26)
InChIKey BFQHENRWMAGCOB-UHFFFAOYSA-N
Molecular Weight 429.315 g/mol
SMILES N(C(Cc1ccc(cc1)OC(C(F)(F)F)=O)C(=O)OCCCC)C(C(F)(F)F)=O
SPLASH splash10-0wmi-5091000000-07e6f8e67464220c6c3f
Source of Spectrum W-0-1-450
Synonyms 2-[(2,2,2-trifluoroacetyl)amino]-3-[4-(2,2,2-trifluoroacetyl)oxyphenyl]propionic acid butyl ester 3-[4-(2,2,2-trifluoro-1-oxoethoxy)phenyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid butyl ester Butyl 2-[(2,2,2-trifluoroacetyl)amino]-3-[4-(2,2,2-trifluoroacetyl)oxyphenyl]propanoate Butyl 2-[2,2,2-tris(fluoranyl)ethanoylamino]-3-[4-[2,2,2-tris(fluoranyl)ethanoyloxy]phenyl]propanoate Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester), L-
Wiley ID 754111