| SpectraBase Compound ID | 1szjlCNVS4H |
|---|---|
| InChI | InChI=1S/C18H23N3O2/c22-16-3-1-12(2-4-16)11-19-21-17(23)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15,22H,5-10H2,(H2,20,21,23)/b19-11+/t13-,14+,15-,18- |
| InChIKey | DEJUNTRBMGIISC-FKDRDRIGSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C18H23N3O2 |
| Exact Mass | 313.179027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iS6Zkgj3MA |
|---|---|
| Name | 4-Hydroxybenzaldehyde N-(1-adamantyl)semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.179026991 u |
| Formula | C18H23N3O2 |
| InChI | InChI=1S/C18H23N3O2/c22-16-3-1-12(2-4-16)11-19-21-17(23)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15,22H,5-10H2,(H2,20,21,23)/b19-11+/t13-,14+,15-,18- |
| InChIKey | DEJUNTRBMGIISC-FKDRDRIGSA-N |
| Molecular Weight | 313.401 g/mol |
| SMILES | N(C(N\N=C\C=1C=CC(=CC1)O)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |