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1-(1-pyrrolidinylacetyl)-3,5-di(2-thienyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID A37Eh2JBqGC
InChI InChI=1S/C17H19N3OS2/c21-17(12-19-7-1-2-8-19)20-14(16-6-4-10-23-16)11-13(18-20)15-5-3-9-22-15/h3-6,9-10,14H,1-2,7-8,11-12H2
InChIKey YGEFODJSZYFODN-UHFFFAOYSA-N
Mol Weight 345.48 g/mol
Molecular Formula C17H19N3OS2
Exact Mass 345.096955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hOyt05jthx
Name 1-(1-Pyrrolidinylacetyl)-3,5-di(2-thienyl)-4,5-dihydro-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 345.096954591 u
Formula C17H19N3OS2
InChI InChI=1S/C17H19N3OS2/c21-17(12-19-7-1-2-8-19)20-14(16-6-4-10-23-16)11-13(18-20)15-5-3-9-22-15/h3-6,9-10,14H,1-2,7-8,11-12H2
InChIKey YGEFODJSZYFODN-UHFFFAOYSA-N
Molecular Weight 345.479 g/mol
SMILES C1CN(CC(N2N=C(C=3SC=CC3)CC2C=2SC=CC2)=O)CC1