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L-Tyrosine, N-heptafluorobutyryl-N,o-dimethyl-, ethyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N-heptafluorobutyryl-N,o-dimethyl-, ethyl ester
SpectraBase Compound ID F6VTMktJWy5
InChI InChI=1S/C17H18F7NO4/c1-4-29-13(26)12(9-10-5-7-11(28-3)8-6-10)25(2)14(27)15(18,19)16(20,21)17(22,23)24/h5-8,12H,4,9H2,1-3H3
InChIKey SOYMFGPQJUUCIQ-UHFFFAOYSA-N
Mol Weight 433.32 g/mol
Molecular Formula C17H18F7NO4
Exact Mass 433.112405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64HYVQRHRqm
Name L-Tyrosine, N-heptafluorobutyryl-N,o-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.112405201 u
Formula C17H18F7NO4
InChI InChI=1S/C17H18F7NO4/c1-4-29-13(26)12(9-10-5-7-11(28-3)8-6-10)25(2)14(27)15(18,19)16(20,21)17(22,23)24/h5-8,12H,4,9H2,1-3H3
InChIKey SOYMFGPQJUUCIQ-UHFFFAOYSA-N
Molecular Weight 433.323 g/mol
SMILES C1(=CC=C(C=C1)OC)CC(C(=O)OCC)N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F