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acetamide, N-[4-[1-acetyl-5-(2-furanyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-
SpectraBase Compound ID AMBWJ0IZX9u
InChI InChI=1S/C17H17N3O3/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKey GLPBFEBODDVRDO-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtddamRj7hc
Name Acetamide, N-[4-[1-acetyl-5-(2-furanyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 311.126991416 u
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKey GLPBFEBODDVRDO-UHFFFAOYSA-N
SMILES N(C(=O)C)C1=CC=C(C2=NN(C(C2)C=2OC=CC2)C(=O)C)C=C1