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(5-S,3-E)-5-Amino-6-phenylhex-3-enoic-acid-trifluoroacetate

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(5-S,3-E)-5-Amino-6-phenylhex-3-enoic-acid-trifluoroacetate
SpectraBase Compound ID 1FzeoTLpss4
InChI InChI=1S/C12H15NO2.C2HF3O2/c13-11(7-4-8-12(14)15)9-10-5-2-1-3-6-10;3-2(4,5)1(6)7/h1-7,11H,8-9,13H2,(H,14,15);(H,6,7)/b7-4+;/t11-;/m1./s1
InChIKey LXHDMJJSOUVPJU-QPJFETGUSA-N
Mol Weight 319.28 g/mol
Molecular Formula C14H16F3NO4
Exact Mass 319.103142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vZX9OkFyGJ
Name (5-S,3-E)-5-Amino-6-phenylhex-3-enoic-acid-trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.103142484 u
Formula C14H16F3NO4
InChI InChI=1S/C12H15NO2.C2HF3O2/c13-11(7-4-8-12(14)15)9-10-5-2-1-3-6-10;3-2(4,5)1(6)7/h1-7,11H,8-9,13H2,(H,14,15);(H,6,7)/b7-4+;/t11-;/m1./s1
InChIKey LXHDMJJSOUVPJU-QPJFETGUSA-N
Molecular Weight 319.280 g/mol
SMILES C([O-])(=O)C(F)(F)F.[C@@]([NH3+])(CC=1C=CC=CC1)(\C=C\CC(=O)O)[H]