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ethanediamide, N~1~-[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]-N~2~-(4-pyridinyl)-
SpectraBase Compound ID D8lFUA5a4sU
InChI InChI=1S/C16H17N3O3/c20-11-14(10-12-4-2-1-3-5-12)19-16(22)15(21)18-13-6-8-17-9-7-13/h1-9,14,20H,10-11H2,(H,19,22)(H,17,18,21)
InChIKey GHPSWPSLBQESCO-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C16H17N3O3
Exact Mass 299.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rkopBtg1ru
Name Ethanediamide, N~1~-[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]-N~2~-(4-pyridinyl)-
Comments Computed using HOSE algorithm
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Exact Mass 299.126991416 u
Formula C16H17N3O3
InChI InChI=1S/C16H17N3O3/c20-11-14(10-12-4-2-1-3-5-12)19-16(22)15(21)18-13-6-8-17-9-7-13/h1-9,14,20H,10-11H2,(H,19,22)(H,17,18,21)
InChIKey GHPSWPSLBQESCO-UHFFFAOYSA-N
Molecular Weight 299.330 g/mol
SMILES N(C(C(NC1=CC=NC=C1)=O)=O)C(CO)CC=1C=CC=CC1