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4-(2-fluorophenyl)-N-(1-naphthyl)-1-piperazinecarboxamide

View entire compound with spectra: 2 NMR

4-(2-fluorophenyl)-N-(1-naphthyl)-1-piperazinecarboxamide
SpectraBase Compound ID clde3XskrY
InChI InChI=1S/C21H20FN3O/c22-18-9-3-4-11-20(18)24-12-14-25(15-13-24)21(26)23-19-10-5-7-16-6-1-2-8-17(16)19/h1-11H,12-15H2,(H,23,26)
InChIKey HDIGPTYEXVHMFJ-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C21H20FN3O
Exact Mass 349.15904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jbEz3l5Zgf
Name 4-(2-Fluorophenyl)-N-(1-naphthyl)-1-piperazinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 349.159040438 u
Formula C21H20FN3O
InChI InChI=1S/C21H20FN3O/c22-18-9-3-4-11-20(18)24-12-14-25(15-13-24)21(26)23-19-10-5-7-16-6-1-2-8-17(16)19/h1-11H,12-15H2,(H,23,26)
InChIKey HDIGPTYEXVHMFJ-UHFFFAOYSA-N
Molecular Weight 349.409 g/mol
SMILES N(C(=O)N1CCN(C=2C(F)=CC=CC2)CC1)C1=C2C(C=CC=C2)=CC=C1