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1-[5-(Phenylethynyl)-2-furoyl]-4-(2-pyridinyl)piperazine

View entire compound with spectra: 2 NMR

1-[5-(Phenylethynyl)-2-furoyl]-4-(2-pyridinyl)piperazine
SpectraBase Compound ID KuULSHw2vMj
InChI InChI=1S/C22H19N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)20-12-11-19(27-20)10-9-18-6-2-1-3-7-18/h1-8,11-13H,14-17H2
InChIKey ADYWJMKZOMPJEZ-UHFFFAOYSA-N
Mol Weight 357.41 g/mol
Molecular Formula C22H19N3O2
Exact Mass 357.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pmFSwg5UUT
Name 1-[5-(Phenylethynyl)-2-furoyl]-4-(2-pyridinyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 357.147726862 u
Formula C22H19N3O2
InChI InChI=1S/C22H19N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)20-12-11-19(27-20)10-9-18-6-2-1-3-7-18/h1-8,11-13H,14-17H2
InChIKey ADYWJMKZOMPJEZ-UHFFFAOYSA-N
Molecular Weight 357.413 g/mol
SMILES C=1(C(N2CCN(CC2)C=2N=CC=CC2)=O)OC(C#CC2=CC=CC=C2)=CC1