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2-Furaldehyde, 4-(1-adamantyl)-3-thiosemicarbazone

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Furaldehyde, 4-(1-adamantyl)-3-thiosemicarbazone
SpectraBase Compound ID AsmHRCD7ikk
InChI InChI=1S/C16H21N3OS/c21-15(19-17-10-14-2-1-3-20-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,21)/b17-10+/t11-,12+,13-,16-
InChIKey ITGYCJJRFKQABH-CARPRVPZSA-N
Mol Weight 303.42 g/mol
Molecular Formula C16H21N3OS
Exact Mass 303.140533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBIaBsxXkdl
Name 2-Furaldehyde, 4-(1-adamantyl)-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 303.140533481 u
Formula C16H21N3OS
InChI InChI=1S/C16H21N3OS/c21-15(19-17-10-14-2-1-3-20-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,21)/b17-10+/t11-,12+,13-,16-
InChIKey ITGYCJJRFKQABH-CARPRVPZSA-N
Molecular Weight 303.424 g/mol
SMILES N(\N=C\C=1OC=CC1)C(=S)NC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]