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L-Tyrosine, o-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-, (S)-
SpectraBase Compound ID 8XVIMZurN55
InChI InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25)/t13-,14-/m0/s1
InChIKey FWZXNPNHUWFOCM-KBPBESRZSA-N
Mol Weight 360.37 g/mol
Molecular Formula C18H20N2O6
Exact Mass 360.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiFv8sVJrhE
Name L-Tyrosine, o-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-, (S)-
Comments Computed using HOSE algorithm
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Exact Mass 360.132136366 u
Formula C18H20N2O6
InChI InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25)/t13-,14-/m0/s1
InChIKey FWZXNPNHUWFOCM-KBPBESRZSA-N
Molecular Weight 360.366 g/mol
SMILES C=1(OC=2C=CC(C[C@@](C(=O)O)(N)[H])=CC2)C(=CC=C(C1)C[C@@](C(=O)O)(N)[H])O