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p-Fluoroacetophenone, 4-[1,1-diadamantyl]-3-thiosemicarbazone

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

p-Fluoroacetophenone, 4-[1,1-diadamantyl]-3-thiosemicarbazone
SpectraBase Compound ID HmpAy7u0xw1
InChI InChI=1S/C29H38FN3S/c1-18(25-2-4-26(30)5-3-25)31-32-27(34)33(28-12-19-6-20(13-28)8-21(7-19)14-28)29-15-22-9-23(16-29)11-24(10-22)17-29/h2-5,19-24H,6-17H2,1H3,(H,32,34)/b31-18+
InChIKey UCPRBPMBBNVZNN-FDAWAROLSA-N
Mol Weight 479.7 g/mol
Molecular Formula C29H38FN3S
Exact Mass 479.277048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uAhbpXmntA
Name p-Fluoroacetophenone, 4-[1,1-diadamantyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 479.277047573 u
Formula C29H38FN3S
InChI InChI=1S/C29H38FN3S/c1-18(25-2-4-26(30)5-3-25)31-32-27(34)33(28-12-19-6-20(13-28)8-21(7-19)14-28)29-15-22-9-23(16-29)11-24(10-22)17-29/h2-5,19-24H,6-17H2,1H3,(H,32,34)/b31-18+
InChIKey UCPRBPMBBNVZNN-FDAWAROLSA-N
Molecular Weight 479.702 g/mol
SMILES C1=C(C=CC(=C1)\C(=N\NC(N(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3)=S)C)F