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(2S,3R)-3-(4-Chlorophenyl)-N-ethyl-3-hydroxy-2-methyl-N-phenylpropanamide
SpectraBase Compound ID AtBEpO3QA1V
InChI InChI=1S/C18H20ClNO2/c1-3-20(16-7-5-4-6-8-16)18(22)13(2)17(21)14-9-11-15(19)12-10-14/h4-13,17,21H,3H2,1-2H3/t13-,17+/m0/s1
InChIKey FYAQFHUKOSKXSO-SUMWQHHRSA-N
Mol Weight 317.82 g/mol
Molecular Formula C18H20ClNO2
Exact Mass 317.118257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XAZPxEkBD2
Name (2S,3R)-3-(4-Chlorophenyl)-N-ethyl-3-hydroxy-2-methyl-N-phenylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 317.118256586 u
Formula C18H20ClNO2
InChI InChI=1S/C18H20ClNO2/c1-3-20(16-7-5-4-6-8-16)18(22)13(2)17(21)14-9-11-15(19)12-10-14/h4-13,17,21H,3H2,1-2H3/t13-,17+/m0/s1
InChIKey FYAQFHUKOSKXSO-SUMWQHHRSA-N
Molecular Weight 317.816 g/mol
SMILES C([C@]([C@@](O)(C1=CC=C(C=C1)Cl)[H])(C)[H])(=O)N(C1=CC=CC=C1)CC