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Methyl (2R*,3S*)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxy-3-phenylpropanoate
SpectraBase Compound ID Hqa2yaaC53i
InChI InChI=1S/C18H19NO5/c1-23-17(21)15(16(20)14-10-6-3-7-11-14)19-18(22)24-12-13-8-4-2-5-9-13/h2-11,15-16,20H,12H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKey VKODCPRHLXHHEG-CVEARBPZSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXFTYaF6m1e
Name Methyl (2R*,3S*)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxy-3-phenylpropanoate
Comments Computed using HOSE algorithm
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Exact Mass 329.126322711 u
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-23-17(21)15(16(20)14-10-6-3-7-11-14)19-18(22)24-12-13-8-4-2-5-9-13/h2-11,15-16,20H,12H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKey VKODCPRHLXHHEG-CVEARBPZSA-N
Molecular Weight 329.352 g/mol
SMILES [C@@](NC(=O)OCC1=CC=CC=C1)(C(=O)OC)([C@](C1=CC=CC=C1)(O)[H])[H]