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(S)-1-(L-Prolyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID HsGOYaX0wA2
InChI InChI=1S/C17H24N4O2/c1-20(12-13-6-9-18-10-7-13)17(23)15-5-3-11-21(15)16(22)14-4-2-8-19-14/h6-7,9-10,14-15,19H,2-5,8,11-12H2,1H3/t14-,15-/m0/s1
InChIKey BGCBXESHOHOKSB-GJZGRUSLSA-N
Mol Weight 316.41 g/mol
Molecular Formula C17H24N4O2
Exact Mass 316.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdrHmx2maje
Name (S)-1-(L-Prolyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 316.189926027 u
Formula C17H24N4O2
InChI InChI=1S/C17H24N4O2/c1-20(12-13-6-9-18-10-7-13)17(23)15-5-3-11-21(15)16(22)14-4-2-8-19-14/h6-7,9-10,14-15,19H,2-5,8,11-12H2,1H3/t14-,15-/m0/s1
InChIKey BGCBXESHOHOKSB-GJZGRUSLSA-N
Molecular Weight 316.405 g/mol
SMILES [C@]1(N(CCC1)C([C@]1(NCCC1)[H])=O)(C(=O)N(CC=1C=CN=CC1)C)[H]