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p-Fluoroacetophenone 4-[1-adamantyl]-3-thiosemicarbazone
SpectraBase Compound ID 6f0oxsxnevG
InChI InChI=1S/C19H24FN3S/c1-12(16-2-4-17(20)5-3-16)22-23-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H2,21,23,24)/b22-12+
InChIKey ZQPDCTIUTNVDCV-WSDLNYQXSA-N
Mol Weight 345.48 g/mol
Molecular Formula C19H24FN3S
Exact Mass 345.167497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6o886CRInCH
Name p-Fluoroacetophenone 4-[1-adamantyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 345.167497122 u
Formula C19H24FN3S
InChI InChI=1S/C19H24FN3S/c1-12(16-2-4-17(20)5-3-16)22-23-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H2,21,23,24)/b22-12+
InChIKey ZQPDCTIUTNVDCV-WSDLNYQXSA-N
Molecular Weight 345.480 g/mol
SMILES C1=C(C=CC(=C1)\C(=N\NC(NC12CC3CC(C2)CC(C1)C3)=S)C)F