| SpectraBase Compound ID | DGS7oCAtt6h |
|---|---|
| InChI | InChI=1S/C20H27N3O2/c1-2-25-18-5-3-14(4-6-18)13-21-23-19(24)22-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,13,15-17H,2,7-12H2,1H3,(H2,22,23,24)/b21-13+/t15-,16+,17-,20- |
| InChIKey | RONAUJHZAVBHGT-CJSFJJOXSA-N |
| Mol Weight | 341.45 g/mol |
| Molecular Formula | C20H27N3O2 |
| Exact Mass | 341.210327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIvW8892Rqh |
|---|---|
| Name | 4-Ethoxybenzaldehyde N-(1-adamantyl)semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.210327119 u |
| Formula | C20H27N3O2 |
| InChI | InChI=1S/C20H27N3O2/c1-2-25-18-5-3-14(4-6-18)13-21-23-19(24)22-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,13,15-17H,2,7-12H2,1H3,(H2,22,23,24)/b21-13+/t15-,16+,17-,20- |
| InChIKey | RONAUJHZAVBHGT-CJSFJJOXSA-N |
| SMILES | N(C(N\N=C\C1=CC=C(C=C1)OCC)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |