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1(2H)-Pyrazinecarbothioamide, N-[(4-fluorophenyl)methyl]tetrahydro-4-[2-(2-thienyl)ethyl]-
SpectraBase Compound ID CVGIoTaRIeL
InChI InChI=1S/C18H22FN3S2/c19-16-5-3-15(4-6-16)14-20-18(23)22-11-9-21(10-12-22)8-7-17-2-1-13-24-17/h1-6,13H,7-12,14H2,(H,20,23)
InChIKey SLFNNLRFHRJBAT-UHFFFAOYSA-N
Mol Weight 363.51 g/mol
Molecular Formula C18H22FN3S2
Exact Mass 363.123918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99ebXv5E72F
Name 1(2H)-Pyrazinecarbothioamide, N-[(4-fluorophenyl)methyl]tetrahydro-4-[2-(2-thienyl)ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 363.123918231 u
Formula C18H22FN3S2
InChI InChI=1S/C18H22FN3S2/c19-16-5-3-15(4-6-16)14-20-18(23)22-11-9-21(10-12-22)8-7-17-2-1-13-24-17/h1-6,13H,7-12,14H2,(H,20,23)
InChIKey SLFNNLRFHRJBAT-UHFFFAOYSA-N
Molecular Weight 363.513 g/mol
SMILES C1=C(C=CC(=C1)F)CNC(N1CCN(CC1)CCC1=CC=CS1)=S