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4-[1-Adamantyl]-3-thiosemicarbazone 4-pyridinecarboxaldehyde

View entire compound with spectra: 1 NMR

4-[1-Adamantyl]-3-thiosemicarbazone 4-pyridinecarboxaldehyde
SpectraBase Compound ID DcVxzo8We11
InChI InChI=1S/C17H22N4S/c22-16(21-19-11-12-1-3-18-4-2-12)20-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2,(H2,20,21,22)/b19-11+/t13-,14+,15-,17-
InChIKey GLNRLEVSCIVJIJ-OANWQUEQSA-N
Mol Weight 314.45 g/mol
Molecular Formula C17H22N4S
Exact Mass 314.156518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WMBo5HINir
Name 4-[1-Adamantyl]-3-thiosemicarbazone 4-pyridinecarboxaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 314.156517898 u
Formula C17H22N4S
InChI InChI=1S/C17H22N4S/c22-16(21-19-11-12-1-3-18-4-2-12)20-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2,(H2,20,21,22)/b19-11+/t13-,14+,15-,17-
InChIKey GLNRLEVSCIVJIJ-OANWQUEQSA-N
Molecular Weight 314.451 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])NC(N\N=C\C=1C=CN=CC1)=S)[H]