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Methyl 3-pyridyl ketone 4-cyclohexylthiosemicarbazone
SpectraBase Compound ID METU7PVK4v
InChI InChI=1S/C14H20N4S/c1-11(12-6-5-9-15-10-12)17-18-14(19)16-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11+
InChIKey OGDNKYFAGDXNRG-GZTJUZNOSA-N
Mol Weight 276.4 g/mol
Molecular Formula C14H20N4S
Exact Mass 276.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MXoQJW5fmi
Name Methyl 3-pyridyl ketone 4-cyclohexylthiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 276.140867834 u
Formula C14H20N4S
InChI InChI=1S/C14H20N4S/c1-11(12-6-5-9-15-10-12)17-18-14(19)16-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11+
InChIKey OGDNKYFAGDXNRG-GZTJUZNOSA-N
SMILES C1=C(C=CC=N1)\C(=N\NC(=S)NC1CCCCC1)C