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(2S,3R)-3-(4-Methylphenylamino)-3-phenylpropane-1,2-diol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,3R)-3-(4-Methylphenylamino)-3-phenylpropane-1,2-diol
SpectraBase Compound ID 4lgLt19DUDm
InChI InChI=1S/C16H19NO2/c1-12-7-9-14(10-8-12)17-16(15(19)11-18)13-5-3-2-4-6-13/h2-10,15-19H,11H2,1H3/t15-,16-/m1/s1
InChIKey ACWAOHDABNEIOT-HZPDHXFCSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8XT10v4JBV
Name (2S,3R)-3-(4-Methylphenylamino)-3-phenylpropane-1,2-diol
Comments Computed using HOSE algorithm
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Exact Mass 257.141578854 u
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-12-7-9-14(10-8-12)17-16(15(19)11-18)13-5-3-2-4-6-13/h2-10,15-19H,11H2,1H3/t15-,16-/m1/s1
InChIKey ACWAOHDABNEIOT-HZPDHXFCSA-N
Molecular Weight 257.333 g/mol
SMILES [C@@](NC=1C=CC(=CC1)C)([C@](O)(CO)[H])(C1=CC=CC=C1)[H]