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3-Acetylpyridine 4-[1-adamantyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR

3-Acetylpyridine 4-[1-adamantyl]-3-thiosemicarbazone
SpectraBase Compound ID 2cUsmqoUGHH
InChI InChI=1S/C18H24N4S/c1-12(16-3-2-4-19-11-16)21-22-17(23)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11,13-15H,5-10H2,1H3,(H2,20,22,23)/b21-12+
InChIKey MOOVNTDJBILTCO-CIAFOILYSA-N
Mol Weight 328.48 g/mol
Molecular Formula C18H24N4S
Exact Mass 328.172168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpTD4jZ0IpY
Name 3-Acetylpyridine 4-[1-adamantyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 328.172167963 u
Formula C18H24N4S
InChI InChI=1S/C18H24N4S/c1-12(16-3-2-4-19-11-16)21-22-17(23)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11,13-15H,5-10H2,1H3,(H2,20,22,23)/b21-12+
InChIKey MOOVNTDJBILTCO-CIAFOILYSA-N
Molecular Weight 328.478 g/mol
SMILES C1C2CC3CC1(NC(N\N=C\(C1=CN=CC=C1)C)=S)CC(C2)C3