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N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide

View entire compound with spectra: 2 NMR

N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID E8B4qExTjyM
InChI InChI=1S/C17H17ClFN3S/c18-13-1-5-15(6-2-13)20-17(23)22-11-9-21(10-12-22)16-7-3-14(19)4-8-16/h1-8H,9-12H2,(H,20,23)
InChIKey NNCSBSGTOLMTJN-UHFFFAOYSA-N
Mol Weight 349.86 g/mol
Molecular Formula C17H17ClFN3S
Exact Mass 349.081575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QG3T99oRnL
Name N-(4-Chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 349.081574596 u
Formula C17H17ClFN3S
InChI InChI=1S/C17H17ClFN3S/c18-13-1-5-15(6-2-13)20-17(23)22-11-9-21(10-12-22)16-7-3-14(19)4-8-16/h1-8H,9-12H2,(H,20,23)
InChIKey NNCSBSGTOLMTJN-UHFFFAOYSA-N
Molecular Weight 349.855 g/mol
SMILES N(C(N1CCN(CC1)C1=CC=C(C=C1)F)=S)C1=CC=C(C=C1)Cl