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N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-4-morpholineacetamide
SpectraBase Compound ID 8Csf0bUN7qn
InChI InChI=1S/C17H22N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,22)
InChIKey FZXFDPBYIPMDIK-UHFFFAOYSA-N
Mol Weight 330.39 g/mol
Molecular Formula C17H22N4O3
Exact Mass 330.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67vCN4N5J6O
Name N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-4-morpholineacetamide
Comments Computed using HOSE algorithm
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Exact Mass 330.169190581 u
Formula C17H22N4O3
InChI InChI=1S/C17H22N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,22)
InChIKey FZXFDPBYIPMDIK-UHFFFAOYSA-N
Molecular Weight 330.388 g/mol
SMILES C1(=C(NC(=O)CN2CCOCC2)C(=O)N(N1C)C1=CC=CC=C1)C