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Methyl L-3-(4-chlorophenyl)tyrosinate
SpectraBase Compound ID HuBBimQ5BPe
InChI InChI=1S/C16H16ClNO3/c1-21-16(20)14(18)9-10-2-7-15(19)13(8-10)11-3-5-12(17)6-4-11/h2-8,14,19H,9,18H2,1H3/t14-/m0/s1
InChIKey PVOLNNBSXWWMCF-AWEZNQCLSA-N
Mol Weight 305.76 g/mol
Molecular Formula C16H16ClNO3
Exact Mass 305.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgtJ5qA96i6
Name Methyl L-3-(4-chlorophenyl)tyrosinate
Alternate Name(s) Methyl (S)-2-amino-3-(4'-chloro-6-hydroxy-[1,1'-biphenyl]-3-yl)propanoate
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Formula C16H16ClNO3
InChI InChI=1S/C16H16ClNO3/c1-21-16(20)14(18)9-10-2-7-15(19)13(8-10)11-3-5-12(17)6-4-11/h2-8,14,19H,9,18H2,1H3/t14-/m0/s1
InChIKey PVOLNNBSXWWMCF-AWEZNQCLSA-N
Literature Reference DOI 10.1016/j.tet.2016.04.084
Molecular Weight 305.761 g/mol
SMILES N[C@@](Cc1cc(c(cc1)O)-c1ccc(cc1)Cl)(C(=O)OC)[H]
SPLASH splash10-066r-8590000000-114d1deda6e4c47bb462
Source of Spectrum Stefanie K. Fehler, et al. Tetrahedron, 10.1016/j.tet.2016.04.084
Wiley ID 1816037