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L-Tyrosine, N-heptafluorobutyryl-N-methyl-, ethyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N-heptafluorobutyryl-N-methyl-, ethyl ester
SpectraBase Compound ID BgrszlQEaKl
InChI InChI=1S/C16H16F7NO4/c1-3-28-12(26)11(8-9-4-6-10(25)7-5-9)24(2)13(27)14(17,18)15(19,20)16(21,22)23/h4-7,11,25H,3,8H2,1-2H3
InChIKey SDHLCXKBIUJVJE-UHFFFAOYSA-N
Mol Weight 419.3 g/mol
Molecular Formula C16H16F7NO4
Exact Mass 419.096755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Dw7Qz3ORLi
Name L-Tyrosine, N-heptafluorobutyryl-N-methyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.096755136 u
Formula C16H16F7NO4
InChI InChI=1S/C16H16F7NO4/c1-3-28-12(26)11(8-9-4-6-10(25)7-5-9)24(2)13(27)14(17,18)15(19,20)16(21,22)23/h4-7,11,25H,3,8H2,1-2H3
InChIKey SDHLCXKBIUJVJE-UHFFFAOYSA-N
Molecular Weight 419.296 g/mol
SMILES C1(=CC=C(C=C1)O)CC(C(=O)OCC)N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F