![4-Fluorobenzaldehyde 4-[1-adamantyl]thiosemicarbazone](/api/spectrum/3AKcgHRmOPD/structure.png?h=300&w=458 "4-Fluorobenzaldehyde 4-[1-adamantyl]thiosemicarbazone")
| SpectraBase Compound ID | Dyk2zyKdleN |
|---|---|
| InChI | InChI=1S/C18H22FN3S/c19-16-3-1-12(2-4-16)11-20-22-17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H2,21,22,23)/b20-11+/t13-,14+,15-,18- |
| InChIKey | FHNQDTVRIDFPGU-XTPHICBMSA-N |
| Mol Weight | 331.45 g/mol |
| Molecular Formula | C18H22FN3S |
| Exact Mass | 331.151847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AKcgHRmOPD |
|---|---|
| Name | 4-Fluorobenzaldehyde 4-[1-adamantyl]thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.151847057 u |
| Formula | C18H22FN3S |
| InChI | InChI=1S/C18H22FN3S/c19-16-3-1-12(2-4-16)11-20-22-17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H2,21,22,23)/b20-11+/t13-,14+,15-,18- |
| InChIKey | FHNQDTVRIDFPGU-XTPHICBMSA-N |
| Molecular Weight | 331.453 g/mol |
| SMILES | C1=C(C=CC(=C1)\C=N\NC(NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=S)F |