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N-(4-fluorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide

View entire compound with spectra: 2 NMR

N-(4-fluorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
SpectraBase Compound ID 28ADtA8hR2H
InChI InChI=1S/C15H16FN5S/c16-12-2-4-13(5-3-12)19-15(22)21-10-8-20(9-11-21)14-17-6-1-7-18-14/h1-7H,8-11H2,(H,19,22)
InChIKey ZTLDTGDWZUVXMW-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C15H16FN5S
Exact Mass 317.111045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ejIzXPLKld
Name N-(4-Fluorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 317.111044872 u
Formula C15H16FN5S
InChI InChI=1S/C15H16FN5S/c16-12-2-4-13(5-3-12)19-15(22)21-10-8-20(9-11-21)14-17-6-1-7-18-14/h1-7H,8-11H2,(H,19,22)
InChIKey ZTLDTGDWZUVXMW-UHFFFAOYSA-N
Molecular Weight 317.386 g/mol
SMILES N(C(N1CCN(C2=NC=CC=N2)CC1)=S)C=1C=CC(=CC1)F